Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7312341

CCCCN(CCCC)Cc1ccc2cc(CONC(=O)c3ccc(C(=O)NO)cc3)ccc2c1.Cl

nearest known ligand 0.55

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 16)

geneUniProtsupporting neighboursconfidence
HDAC6 known ✓ Q9UBN7 11/20 0.55
HDAC1 known ✓ Q13547 11/20 0.55
HDAC3 known ✓ O15379 6/20 0.55
HDAC2 known ✓ Q92769 6/20 0.55
HDAC8 known ✓ Q9BY41 6/20 0.55
HDAC4 known ✓ P56524 5/20 0.55
HDAC7 known ✓ Q8WUI4 5/20 0.55
HDAC9 known ✓ Q9UKV0 5/20 0.55
HDAC5 known ✓ Q9UQL6 5/20 0.55
HDAC10 known ✓ Q969S8 4/20 0.55
HDAC11 known ✓ Q96DB2 4/20 0.55
BCHE known ✓ P06276 1/20 0.44
HSP90AA1 known ✓ P07900 1/20 0.42
NCOR2 Q9Y618 2/20 0.55
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7322814 0.99 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL7321060 0.94 HDAC1 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7320904 0.92 HDAC1 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL7320637 0.89 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5175761 0.88 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7321678 0.85 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL7315900 0.84 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL28315083 0.84 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7322365 0.83 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7320956 0.80 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed