Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8930878

Cl.Clc1cc(Cl)c2c(c1)Oc1cc3c(cc1=N2)Oc1ccccc1N=3

nearest known ligand 0.35

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
HRH2 known ✓ P25021 3/20 0.34
HRH1 known ✓ P35367 3/20 0.34
ADRB2 known ✓ P07550 2/20 0.34
CHRM2 known ✓ P08172 2/20 0.34
CHRM4 known ✓ P08173 2/20 0.34
HTR1A known ✓ P08908 2/20 0.34
CHRM5 known ✓ P08912 2/20 0.34
ADRA2A known ✓ P08913 2/20 0.34
CHRM1 known ✓ P11229 2/20 0.34
DRD2 known ✓ P14416 2/20 0.34
ADRA2B known ✓ P18089 2/20 0.34
ADRA2C known ✓ P18825 2/20 0.34
CHRM3 known ✓ P20309 2/20 0.34
DRD1 known ✓ P21728 2/20 0.34
DRD4 known ✓ P21917 2/20 0.34
SLC6A2 known ✓ P23975 2/20 0.34
HTR2A known ✓ P28223 2/20 0.34
HTR2C known ✓ P28335 2/20 0.34
SLC6A4 known ✓ P31645 2/20 0.34
HTR7 known ✓ P34969 2/20 0.34

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
SCHEMBL8930845 0.98 MAPK1 (0.36) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL9548219 0.79 AHR (0.38) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL54645 0.79 CYP1A2 (0.50) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL30589180 0.79 CYP1A2 (0.50) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL1947835 0.76 AHR (0.41) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL10597663 0.73 CYP1A2 (0.46) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL5700690 0.71 CYP1A2 (0.41) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL10898650 0.71 CYP1A2 (0.45) CYP1A2CYP2D6HRH4KDM4EMEN1
SCHEMBL10489065 0.69 AHR (0.36) MAPK1CYP1A2CYP2D6HRH2HRH1
SCHEMBL8196063 0.69 CYP1A2 (0.42) MAPK1CYP1A2CYP2D6HRH2HRH1

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
WO-1997019088-A1 NOVEL NONLINEAR OPTICAL MOLECULES AND POLYMERS INCORPORATING THEM HOECHST CELANESE CORPORATION (US) 1997-05-29 WO disclosed