Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1017218

CN(C)S(=O)(=O)c1ccccc1.Cl

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 known ✓ P28845 1/20 0.53
HTR6 known ✓ P50406 1/20 0.48
GAA known ✓ P10253 1/20 0.47
LMNA P02545 3/20 0.64
APOBEC3G Q9HC16 1/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.53
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL19211700 1.00 LMNA (0.64) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
SCHEMBL182738 0.97 LMNA (0.67) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
Water SCHEMBL28154432 0.95 LMNA (0.64) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
SCHEMBL11798300 0.93 LMNA (0.62) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
SCHEMBL23555189 0.89 LMNA (0.63) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
Formic Acid SCHEMBL30498949 0.87 LMNA (0.56) LMNAAPOBEC3GALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28477859 0.87 LMNA (0.61) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL4073854 0.84 LMNA (0.63) LMNAALDH1A1SMN1; SMN2HTTMAPT
Hydrochloric Acid SCHEMBL29512216 0.83 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL26413509 0.82 APOBEC3G (0.58) LMNAAPOBEC3GALDH1A1HSD11B1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN claimed
CN-101155784-A Cis-2,4,5-triaryl-imidazolines and their use as anti-cancer medicaments HOFFMANN LA ROCHE (CH) 2008-04-02 CN claimed
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN claimed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP claimed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO claimed
CN-118339145-A Bicyclic fused ring derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-12 CN disclosed
CN-112533897-B Halogenated allylamine sulfone derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2023-07-14 CN disclosed
CN-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 CN disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-107266332-B Substituted 3-haloallylamine inhibitors of SSAO and uses thereof 勃林格殷格翰国际有限公司 2020-07-24 CN disclosed
CN-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 CN disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
CN-100497314-C Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA GMBH (DE) 2009-06-10 CN disclosed
CN-101155784-A Cis-2,4,5-triaryl-imidazolines and their use as anti-cancer medicaments HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN disclosed
CN-101056855-A Nitrogen-containing heterocyclic derivative and drug containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2007-10-17 CN disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US disclosed
CN-1617856-A Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA GMBH (DE) 2005-05-18 CN disclosed
EP-0034432-B1 SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS, CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-04-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG HSD11B1 2202/4885HTR6 4093/4885GAA 215/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HSD11B1 3110/4885HTR6 2659/4885GAA 3249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.