Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28797568

CC(C)(C)NSc1ccccc1.Cl

nearest known ligand 0.38

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
▸ KCNH2 known ✓ Q12809 2/20 0.31
▸ CACNA1F known ✓ O60840 1/20 0.31
▸ CHRM2 known ✓ P08172 1/20 0.31
▸ CHRM1 known ✓ P11229 1/20 0.31
▸ ADRA2B known ✓ P18089 1/20 0.31
▸ CHRM3 known ✓ P20309 1/20 0.31
▸ ADRA1A known ✓ P35348 1/20 0.31
▸ HRH1 known ✓ P35367 1/20 0.31
▸ OPRK1 known ✓ P41145 1/20 0.31
▸ CACNA1D known ✓ Q01668 1/20 0.31
▸ SLC6A3 known ✓ Q01959 1/20 0.31
▸ CACNA1S known ✓ Q13698 1/20 0.31
▸ CACNA1C known ✓ Q13936 1/20 0.31
▸ SCN5A known ✓ Q14524 1/20 0.31
▸ SLC6A4 known ✓ P31645 1/20 0.31
▸ MAOA known ✓ P21397 2/20 0.31
▸ MAOB known ✓ P27338 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL873511 0.98 SMN1; SMN2 (0.39) SMN1; SMN2MAPTHPGDMGLLHSD17B10
SCHEMBL28303061 0.95 SMN1; SMN2 (0.38) SMN1; SMN2MAPTHPGDMGLLHSD17B10
SCHEMBL21452870 0.74 MAOA (0.38) SMN1; SMN2HPGDHSD17B10MAPK1ALDH1A1
SCHEMBL17706150 0.74 APP (0.35) —
SCHEMBL18758026 0.74 CYP3A4 (0.44) SMN1; SMN2MAPTHPGDHSD17B10MAPK1
SCHEMBL21452871 0.73 MAOA (0.42) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL18757473 0.73 CYP3A4 (0.41) MAPTMAPK1ALDH1A1LMNAMAOA
SCHEMBL5077197 0.71 KCNH2 (0.41) SMN1; SMN2MAPTHPGDMGLLHSD17B10
SCHEMBL8473586 0.69 — —
Methylphenylsulfide SCHEMBL10703265 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102665604-B Solid Forms for Tissue Repair CARTIHEAL (2009) LTD. (IL) 2015-11-25 — — CN disclosed
CN-102665604-A Solid forms for tissue repair CARTIHEAL 2009 LTD 2012-09-12 — — CN disclosed
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