Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9543019

Cl.N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

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 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 known ✓ O15379 11/20 0.42
▸ HDAC11 known ✓ Q96DB2 11/20 0.42
▸ HDAC6 known ✓ Q9UBN7 11/20 0.42
▸ HDAC1 known ✓ Q13547 10/20 0.42
▸ HDAC2 known ✓ Q92769 10/20 0.42
▸ HDAC10 known ✓ Q969S8 10/20 0.42
▸ HDAC8 known ✓ Q9BY41 10/20 0.42
▸ HDAC4 known ✓ P56524 1/20 0.37
▸ HDAC7 known ✓ Q8WUI4 1/20 0.37
▸ HDAC9 known ✓ Q9UKV0 1/20 0.37
▸ HDAC5 known ✓ Q9UQL6 1/20 0.37
▸ SCN3A known ✓ Q9NY46 2/20 0.35
▸ SCN9A known ✓ Q15858 1/20 0.35
▸ PDF Q9HBH1 1/20 0.41
▸ NCOR2 Q9Y618 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TERT O14746 1/20 0.36
▸ SSTR3 P32745 1/20 0.36

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 SCHEMBL10380405 1.00 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL5673516 0.99 HDAC3 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
Hydrochloric Acid SCHEMBL3277643 0.92 SSTR3 (0.48) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL9013073 0.91 SSTR3 (0.49) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL7047405 0.91 SSTR3 (0.49) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL8532855 0.90 KEAP1 (0.42) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL30686001 0.87 MAPK8 (0.45) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL7761782 0.86 PDF (0.55) HDAC3HDAC11HDAC6HDAC1HDAC2
Edetic Acid SCHEMBL8001970 0.85 SSTR3 (0.44) HDAC3HDAC11HDAC6HDAC1HDAC2
Nitrobenzene SCHEMBL29006904 0.85 CTSC (0.41) HDAC3HDAC11HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009233-A2 RECOMBINANT AMYLOID PRECURSOR PROTEIN INHIBITOR DOMAIN AND TREATMENT OF VARIOUS DISEASE STATES THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES INC. (US) 1993-05-13 — — WO disclosed
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