Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9322795

Cl.Cl.NCC(=O)NC(Cc1ccccc1)c1ccncc1.O

nearest known ligand 0.64

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
SLC6A2 known ✓ P23975 1/20 0.46
SLC6A4 known ✓ P31645 1/20 0.46
SLC6A3 known ✓ Q01959 1/20 0.46
PRKCD known ✓ Q05655 2/20 0.45
ROCK1 known ✓ Q13464 2/20 0.45
ROCK2 known ✓ O75116 1/20 0.45
PRKD3 known ✓ O94806 1/20 0.45
PRKCG known ✓ P05129 1/20 0.45
PRKCQ known ✓ Q04759 1/20 0.45
DPP4 known ✓ P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
NCOA1 Q15788 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
CTSC P53634 2/20 0.53
MMP2 P08253 1/20 0.46
RPS6KA5 O75582 2/20 0.45
AKT1 P31749 2/20 0.45
GSK3B P49841 2/20 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
SCHEMBL9322630 0.97 ALDH1A1 (0.58) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9321544 0.92 ALDH1A1 (0.58) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
Hydrochloric Acid SCHEMBL6813768 0.89 ALDH1A1 (0.69) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL16889096 0.87 ALDH1A1 (0.71) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL6813188 0.87 ALDH1A1 (0.71) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
Hydrochloric Acid SCHEMBL9322729 0.84 HTT (0.53) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9321486 0.83 HTT (0.55) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9322426 0.83 HTT (0.55) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL5304987 0.82 ALDH1A1 (0.60) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL5304216 0.79 ALDH1A1 (0.60) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278090-B1 2-Aminoacetamide pyridinyl derivatives FISONS CORP (US) 1994-01-26 EP claimed
US-4769466-A 2-aminoacetamide pyridinyl derivatives PENNWALT CORPORATION (US) 1988-09-06 US claimed
EP-0278090-A2 2-Aminoacetamide pyridinyl derivatives FISONS CORPORATION (US) 1988-08-17 EP claimed
EP-0278090-B1 2-Aminoacetamide pyridinyl derivatives FISONS CORP (US) 1994-01-26 EP disclosed
US-4769466-A 2-aminoacetamide pyridinyl derivatives PENNWALT CORPORATION (US) 1988-09-06 US disclosed
EP-0278090-A2 2-Aminoacetamide pyridinyl derivatives FISONS CORPORATION (US) 1988-08-17 EP disclosed