Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9509908

Cl.Cl.NCCCSC(=O)CCCN

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
GABRP known ✓ O00591 1/20 0.46
GABRD known ✓ O14764 1/20 0.46
HDAC3 known ✓ O15379 1/20 0.46
GABRA1 known ✓ P14867 1/20 0.46
GABRB1 known ✓ P18505 1/20 0.46
GABRG2 known ✓ P18507 1/20 0.46
GABRB3 known ✓ P28472 1/20 0.46
SLC6A1 known ✓ P30531 1/20 0.46
GABRA5 known ✓ P31644 1/20 0.46
GABRA3 known ✓ P34903 1/20 0.46
GABRA2 known ✓ P47869 1/20 0.46
GABRB2 known ✓ P47870 1/20 0.46
GABRA4 known ✓ P48169 1/20 0.46
HDAC4 known ✓ P56524 1/20 0.46
GABRE known ✓ P78334 1/20 0.46
HDAC1 known ✓ Q13547 1/20 0.46
GABRA6 known ✓ Q16445 1/20 0.46
GABRG1 known ✓ Q8N1C3 1/20 0.46
HDAC7 known ✓ Q8WUI4 1/20 0.46
HDAC2 known ✓ Q92769 1/20 0.46

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 SCHEMBL9506091 0.91 BLM (0.44) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL9509927 0.90 CYP1A2 (0.46) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL8975485 0.82 ALDH1A1 (0.46) CYP1A2CYP2C19BLMNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL9509890 0.81 LMNA (0.50) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL8975360 0.79 ALDH1A1 (0.43) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL8975853 0.79 CYP1A2 (0.38) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL7163561 0.78 DNM1 (0.52) KMT2ATSHRHDAC11MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9128502 0.77 IDO1 (0.42) CYP1A2CYP2C19BLMLMNANPSR1
SCHEMBL17164988 0.76 CYP1A2 (0.43) CYP1A2CYP2C19BLMLMNANPSR1
Hydrochloric Acid SCHEMBL8975915 0.75 ALDH1A1 (0.47) CYP1A2BLMLMNANPSR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed