Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4576373

C=Cc1ccc(CNCc2ccccc2)cc1.Cl

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
HDAC8 known ✓ Q9BY41 2/20 0.51
HDAC3 known ✓ O15379 1/20 0.51
HDAC1 known ✓ Q13547 1/20 0.51
HDAC2 known ✓ Q92769 1/20 0.51
CA2 known ✓ P00918 1/20 0.49
GAA known ✓ P10253 1/20 0.48
BCHE known ✓ P06276 1/20 0.47
MAOA known ✓ P21397 1/20 0.45
HDAC6 known ✓ Q9UBN7 1/20 0.44
CHRM2 known ✓ P08172 1/20 0.44
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 1/20 0.49
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.46
ADH1B P00325 1/20 0.45

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
SCHEMBL28408416 0.98 HDAC8 (0.53) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11146572 0.89 ALDH1A1 (0.55) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11153954 0.85 GAA (0.67) HDAC8HDAC3HDAC1HDAC2ALDH1A1
Hydrochloric Acid SCHEMBL7047762 0.83 MEN1 (0.48) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL19066607 0.83 TP53 (0.43) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL4159439 0.81 ALDH1A1 (0.50) HDAC8HDAC3HDAC1HDAC2ALDH1A1
Styrene SCHEMBL10628603 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL28923919 0.80 ALDH1A1 (0.44) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL10054993 0.80 MEN1 (0.74) HDAC8MEN1KMT2ATDP1CA1
Hydrochloric Acid SCHEMBL27614241 0.80 MEN1 (0.74) MEN1KMT2ATDP1CA1CA2

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-1706464-A4 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJIFILM CORP (JP) 2008-01-16 EP disclosed
EP-1706464-A1 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJI PHOTO FILM CO., LTD. (JP) 2006-10-04 EP disclosed
WO-2005061635-A1 INK FOR INK JET, A METHOD FOR PRODUCING INK FOR INK JET, INK SET FOR INK JET, AND INK JET RECORDING METHOD FUJI PHOTO FILM CO., LTD. (JP) 2005-07-07 WO disclosed