Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8479130

Cl.Cn1c2c3ccccc3nc-2c(Nc2ccccc2)c2cc(F)ccc21

nearest known ligand 0.48

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
HCRTR1 known ✓ O43613 1/20 0.48
HDAC3 known ✓ O15379 1/20 0.42
ACHE known ✓ P22303 1/20 0.42
HDAC4 known ✓ P56524 1/20 0.42
HDAC1 known ✓ Q13547 1/20 0.42
HDAC7 known ✓ Q8WUI4 1/20 0.42
HDAC2 known ✓ Q92769 1/20 0.42
HDAC8 known ✓ Q9BY41 1/20 0.42
HDAC6 known ✓ Q9UBN7 1/20 0.42
HDAC9 known ✓ Q9UKV0 1/20 0.42
HDAC5 known ✓ Q9UQL6 1/20 0.42
SRC known ✓ P12931 1/20 0.41
GAA known ✓ P10253 1/20 0.39
ADRB2 known ✓ P07550 1/20 0.38
CHRM2 known ✓ P08172 1/20 0.38
ADRA2A known ✓ P08913 1/20 0.38
CHRM1 known ✓ P11229 1/20 0.38
ADRA2B known ✓ P18089 1/20 0.38
ADRA2C known ✓ P18825 1/20 0.38
DRD1 known ✓ P21728 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
SCHEMBL8485414 0.99 KMT2A (0.49) KMT2AMEN1HCRTR1HDAC3ACHE
Hydrochloric Acid SCHEMBL8484158 0.80 HCRTR1 (0.52) KMT2AMEN1HCRTR1ACHESRC
Hydrochloric Acid SCHEMBL8482280 0.80 MEN1 (0.52) KMT2AMEN1HCRTR1KDM4ETERT
SCHEMBL8483674 0.79 HCRTR1 (0.53) KMT2AMEN1HCRTR1ACHESRC
Hydrochloric Acid SCHEMBL8478506 0.77 KMT2A (0.49) KMT2AMEN1HCRTR1KDM4ETSHR
SCHEMBL8484036 0.76 KMT2A (0.50) KMT2AMEN1HCRTR1KDM4ETSHR
Hydrochloric Acid SCHEMBL8855089 0.74 HCRTR1 (0.48) KMT2AMEN1HCRTR1ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL8485410 0.74 MEN1 (0.48) KMT2AMEN1HCRTR1ACHEKDM4E
SCHEMBL8483085 0.73 MEN1 (0.49) KMT2AMEN1HCRTR1ACHEKDM4E
SCHEMBL8486845 0.73 HCRTR1 (0.49) KMT2AMEN1HCRTR1ACHESMN1; SMN2

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-5925647-A TREATMENT OF INSULIN NON-INSULIN DEPENDENT DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1999-07-20 US claimed
US-5681958-A TREATMENT OF DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1997-10-28 US claimed
US-5925647-A TREATMENT OF INSULIN NON-INSULIN DEPENDENT DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5681958-A TREATMENT OF DIABETES SHAMAN PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed