Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9215684

CCOC(=O)C1=C(CN=C(N)S)NC(C)=C(C(=O)OC)C1C1CCCCCC1.Cl

nearest known ligand 0.39

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
ADRA1A known ✓ P35348 3/20 0.36
SLC6A3 known ✓ Q01959 3/20 0.36
HTR1A known ✓ P08908 2/20 0.36
ADRA2A known ✓ P08913 2/20 0.36
CHRM1 known ✓ P11229 2/20 0.36
DRD1 known ✓ P21728 2/20 0.36
SLC6A2 known ✓ P23975 2/20 0.36
OPRM1 known ✓ P35372 2/20 0.36
DRD3 known ✓ P35462 2/20 0.36
KCNH2 known ✓ Q12809 2/20 0.36
ADRB3 known ✓ P13945 2/20 0.36
OPRK1 known ✓ P41145 2/20 0.36
SCN5A known ✓ Q14524 2/20 0.36
ADRB2 known ✓ P07550 1/20 0.36
DRD2 known ✓ P14416 1/20 0.36
ADRA2C known ✓ P18825 1/20 0.36
HRH2 known ✓ P25021 1/20 0.36
ADRA1D known ✓ P25100 1/20 0.36
HTR2A known ✓ P28223 1/20 0.36
HTR2C known ✓ P28335 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 SCHEMBL9216313 1.00 ADORA3 (0.39) ADORA3TSHRNPSR1LMNATP53
SCHEMBL9203548 0.99 ADORA3 (0.40) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9212238 0.99 ADORA3 (0.40) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9205116 0.97 ADORA3 (0.40) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9203780 0.95 ADORA3 (0.41) ADORA3TSHRNPSR1LMNATP53
Hydrochloric Acid SCHEMBL9337436 0.89 ALDH1A1 (0.38) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9212528 0.89 ALDH1A1 (0.38) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9205123 0.87 KDM4E (0.39) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9208080 0.85 KDM4E (0.39) TSHRNPSR1LMNATP53KDM4E
Hydrochloric Acid SCHEMBL9208633 0.84 NPSR1 (0.53) TSHRNPSR1MEN1KMT2ACYP2C9

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
EP-0536169-B1 [3H,7H]THIAZOLO [3,4-a]PYRIDINES WITH ANTIASTHMATIC AND ANTIINFLAMMATORY ACTIONS ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1995-04-05 EP disclosed
US-5336676-A [3H,7H]thiazolo[3,4-a]pyridines with antiasthmatic and antiinflammatory actions on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-08-09 US disclosed