Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10744665

CN1CCC(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1.Cl.Cl.Cl

nearest known ligand 0.66

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
▸ TOP1 known ✓ P11387 2/20 0.66
▸ TOP2A known ✓ P11388 2/20 0.66
▸ PARP1 known ✓ P09874 2/20 0.48
▸ GLA known ✓ P06280 1/20 0.46
▸ KCNH2 known ✓ Q12809 2/20 0.46
▸ PRKD3 known ✓ O94806 1/20 0.45
▸ PDGFRA known ✓ P16234 1/20 0.45
▸ PRKCQ known ✓ Q04759 1/20 0.45
▸ ROCK1 known ✓ Q13464 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ CHEK2 O96017 2/20 0.49
▸ PARP2 Q9UGN5 1/20 0.48
▸ SCD O00767 1/20 0.46
▸ PRMT5 O14744 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLCO2B1 O94956 1/20 0.46
▸ MAPT P10636 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 SCHEMBL10744669 0.89 TOP1 (0.54) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL12761542 0.88 TOP1 (0.54) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL22061709 0.81 CHEK2 (0.51) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29443416 0.80 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL30597851 0.80 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29421432 0.80 TOP1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL74554 0.78 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL14665658 0.78 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
Hoechst 33258 SCHEMBL29376223 0.78 ALDH1A1 (1.00) TOP1TOP2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15165787 0.76 FGFR1 (0.56) ALDH1A1HSD17B10MAPTTDP1KCNH2

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
JP-62135769-A — — None — — JP disclosed
JP-S62135769-A METHOD AND REAGENT FOR MEASURING RATIO BETWEEN PROTEIN AND DNA IN CELL TAKAHAMA MOTOHIDE 1987-06-18 — — JP disclosed
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