Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10787996

Cl.Nc1ccc(Sc2nc3ccccc3s2)c(C(F)(F)F)c1

nearest known ligand 0.51

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
▸ GAA known ✓ P10253 2/20 0.47
▸ HSP90AA1 known ✓ P07900 1/20 0.47
▸ ADRA2A known ✓ P08913 1/20 0.44
▸ DRD2 known ✓ P14416 1/20 0.44
▸ ADRA2B known ✓ P18089 1/20 0.44
▸ ADRA2C known ✓ P18825 1/20 0.44
▸ DRD1 known ✓ P21728 1/20 0.44
▸ OPRM1 known ✓ P35372 1/20 0.44
▸ DRD3 known ✓ P35462 1/20 0.44
▸ OPRK1 known ✓ P41145 1/20 0.44
▸ HTR6 known ✓ P50406 1/20 0.44
▸ SLC6A3 known ✓ Q01959 1/20 0.44
▸ CA2 known ✓ P00918 1/20 0.42
▸ JAK2 known ✓ O60674 1/20 0.41
▸ MMP8 known ✓ P22894 1/20 0.40
▸ CTSD P07339 1/20 0.51
▸ MAPT P10636 7/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47

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
SCHEMBL8736939 0.84 CTSD (0.52) CTSDMAPTKMT2AMEN1TDP1
SCHEMBL19840432 0.79 CTSD (0.52) CTSDMAPTKMT2AMEN1TDP1
SCHEMBL30895880 0.79 CTSD (0.52) CTSDMAPTKMT2AMEN1TDP1
SCHEMBL10781795 0.79 MAPT (0.60) CTSDMAPTKMT2AMEN1TDP1
SCHEMBL6995286 0.75 ALDH1A1 (0.44) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL709679 0.72 GAA (0.59) MAPTKMT2AMEN1TDP1HPGD
SCHEMBL8563621 0.72 FBP1 (0.58) CTSDMAPTKMT2AMEN1TDP1
SCHEMBL30005981 0.71 ALDH1A1 (0.76) MAPTKMT2ATDP1SMN1; SMN2HPGD
SCHEMBL381557 0.71 ALDH1A1 (0.76) MAPTKMT2ATDP1SMN1; SMN2HPGD
SCHEMBL2035992 0.71 ILK (0.42) CTSDMAPTKMT2AMEN1TDP1

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-0107123-B1 ANILINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1987-07-01 — — EP disclosed
EP-0107123-A1 Aniline derivatives, process for their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1984-05-02 — — EP disclosed
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