Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7114154

CC(C)C(NCc1ccc(C=NN)cc1)C(=O)NCC(=O)NCCc1c[nH]c2ccccc12.Cl

nearest known ligand 0.48

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
▸ BCHE known ✓ P06276 1/20 0.46
▸ ACHE known ✓ P22303 1/20 0.46
▸ HDAC3 known ✓ O15379 3/20 0.45
▸ HDAC4 known ✓ P56524 3/20 0.45
▸ HDAC1 known ✓ Q13547 3/20 0.45
▸ HDAC7 known ✓ Q8WUI4 3/20 0.45
▸ HDAC2 known ✓ Q92769 3/20 0.45
▸ HDAC10 known ✓ Q969S8 3/20 0.45
▸ HDAC11 known ✓ Q96DB2 3/20 0.45
▸ HDAC8 known ✓ Q9BY41 3/20 0.45
▸ HDAC6 known ✓ Q9UBN7 3/20 0.45
▸ HDAC9 known ✓ Q9UKV0 3/20 0.45
▸ HDAC5 known ✓ Q9UQL6 3/20 0.45
▸ KCNH2 known ✓ Q12809 1/20 0.45
▸ AANAT Q16613 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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 SCHEMBL7491587 0.93 SIRT2 (0.49) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6365461 0.85 MEN1 (0.51) AANATMEN1KMT2AALDH1A1TSHR
SCHEMBL7490757 0.83 AANAT (0.44) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6366426 0.77 MEN1 (0.52) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7437342 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL7424984 0.74 SIRT2 (0.47) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6365194 0.73 MEN1 (0.49) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6365463 0.72 MEN1 (0.51) AANATMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6366494 0.72 KMT2A (0.49) MEN1KMT2AALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL7433216 0.72 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT

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-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 — — EP disclosed
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 — — EP disclosed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 — — WO disclosed
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