Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11225965

Cl.Cl.Cl.Cl.Nc1ccc(OCOc2ccc(N)cc2N)c(N)c1

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
GAA known ✓ P10253 5/20 0.66
HSP90AA1 known ✓ P07900 1/20 0.38
HSP90AB1 known ✓ P08238 1/20 0.38
MAPT P10636 5/20 0.66
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
CASP1 P29466 3/20 0.66
USP2 O75604 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 2/20 0.66
TP53 P04637 1/20 0.66
POLB P06746 1/20 0.66
CASP7 P55210 1/20 0.66
ATM Q13315 1/20 0.66
PRSS1 P07477 8/20 0.43
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL455466 0.98 GAA (0.62) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL5852297 0.90 GAA (0.65) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL11224670 0.86 ALDH1A1 (0.78) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL30994761 0.84 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL11233537 0.84 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL3421592 0.84 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL1426505 0.84 GAA (0.75) GAAMAPTALDH1A1KDM4ECASP1
SCHEMBL8099817 0.84 GAA (0.74) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL7049825 0.83 MAPT (0.61) GAAMAPTALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL2289247 0.83 MAPT (0.72) GAAMAPTALDH1A1KDM4ECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011844-B1 COUPLING COMPONENTS FOR OXIDIZING HAIR DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-05-26 EP disclosed
US-4314809-A BIS/2,4-DIAMINOPHENOXY/ALKANES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-02-09 US disclosed
EP-0011844-A1 Coupling components for oxidizing hair dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed