Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5174283

COc1ccc(S(=O)(=O)N(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc2C=Cc2cc[n+]([O-])cc2)cc1.Cl.Cl

nearest known ligand 0.61

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
MET known ✓ P08581 1/20 0.61
CHRM2 known ✓ P08172 6/20 0.37
CHRM1 known ✓ P11229 4/20 0.37
CHRM3 known ✓ P20309 3/20 0.37
CHRM4 known ✓ P08173 2/20 0.37
MMP1 known ✓ P03956 2/20 0.37
MMP13 known ✓ P45452 2/20 0.37
MMP7 known ✓ P09237 1/20 0.37
GAA known ✓ P10253 1/20 0.35
CCR5 known ✓ P51681 1/20 0.35
ALDH1A1 P00352 6/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MMP3 P08254 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.36

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 SCHEMBL5174278 1.00 MET (0.61) METALDH1A1CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5175420 0.99 MET (0.62) METALDH1A1CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5175424 0.99 MET (0.62) METALDH1A1CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5175986 0.93 MET (0.59) METALDH1A1CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5175974 0.93 MET (0.59) METALDH1A1CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL5174656 0.92 MET (0.69) METALDH1A1CYP2D6CYP2C19KEAP1
Hydrochloric Acid SCHEMBL5174666 0.92 MET (0.69) METALDH1A1CYP2D6CYP2C19KEAP1
Hydrochloric Acid SCHEMBL5173990 0.92 MET (0.70) METALDH1A1CYP2D6CYP2C19KEAP1
Hydrochloric Acid SCHEMBL5173974 0.92 MET (0.70) METALDH1A1CYP2D6CYP2C19KEAP1
Hydrochloric Acid SCHEMBL5174219 0.92 MET (0.58) METALDH1A1CYP2D6CYP2C19KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238974-B1 HETEROCYCLE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2007-05-23 EP disclosed
US-6787546-B2 POTENT ANTICANCER ACTIVITY; WATER SOLUBLE; INJECTION 4-(2-(2-(N-(4-METHOXYBENZENESULFONYL)-N -PIPERIDINOACETYLAMINO)PHENYL)ETHENYL)PYRIDINE 1-OXIDE HYDROCHLORIDE NIPPON SHINYAKU CO., LTD. (JP) 2004-09-07 US disclosed
US-20030022884-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-01-30 US 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 (1 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-20030022884-A1 Heterocycle derivatives and drugs ABCC5, CYP3A5, CYP2D6 MET 988/4885CHRM2 1339/4885CHRM1 627/4885

“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.