Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6491671

Cl.Fc1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 1/20 0.46
ADRA2A known ✓ P08913 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
ADRA1D known ✓ P25100 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
ADRA1B known ✓ P35368 1/20 0.44
LCK known ✓ P06239 4/20 0.43
EGFR known ✓ P00533 1/20 0.43
SRC known ✓ P12931 1/20 0.43
ABL1 known ✓ P00519 2/20 0.40
AMY1A P0DUB6 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ZAP70 P43403 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL5695281 0.99 JAK2 (0.46) JAK2AMY1AADRA2AADRA2CADRA1D
Hydrochloric Acid SCHEMBL6491665 0.89 JAK2 (0.46) JAK2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1362719 0.87 JAK2 (0.46) JAK2ADRA2AADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL5695285 0.84 HDAC11 (0.51) JAK2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5695269 0.83 PLAU (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5695251 0.83 HDAC11 (0.52) JAK2ADRA2AADRA2CADRA1DADRA1A
Bromide SCHEMBL6489880 0.82 PLAU (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL5695191 0.81 NPC1 (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6490598 0.80 RAB9A (0.54) IRAK4LCKCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6489043 0.80 PTGES (0.46) LCKEGFRSRCZAP70PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958357-B2 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-25 US disclosed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US disclosed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 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 (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-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 JAK2 1947/4885ADRA2A 879/4885ADRA2C 683/4885
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 JAK2 1947/4885ADRA2A 879/4885ADRA2C 683/4885

“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.