Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29974145

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCNCC4)cc3C2)c(O)cc1O.Cl

nearest known ligand 0.80

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 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 19/20 0.80
HSP90AB1 known ✓ P08238 10/20 0.80
HDAC8 known ✓ Q9BY41 8/20 0.54
HDAC3 known ✓ O15379 8/20 0.54
HDAC6 known ✓ Q9UBN7 8/20 0.54
HDAC1 known ✓ Q13547 7/20 0.54
HDAC4 known ✓ P56524 4/20 0.51
HDAC7 known ✓ Q8WUI4 4/20 0.51
HDAC2 known ✓ Q92769 4/20 0.51
HDAC10 known ✓ Q969S8 4/20 0.51
HDAC11 known ✓ Q96DB2 4/20 0.51
HDAC9 known ✓ Q9UKV0 4/20 0.51
HDAC5 known ✓ Q9UQL6 4/20 0.51
HSP90B1 P14625 1/20 0.80

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 SCHEMBL23673784 1.00 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL21097007 0.99 HSP90AA1 (0.81) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL30829342 0.90 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL1205801 0.90 HSP90AA1 (0.98) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL1206927 0.90 HSP90AA1 (0.98) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL29351356 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL384367 0.89 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
Onalespib SCHEMBL382780 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL30368762 0.88 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3
SCHEMBL25317452 0.88 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3

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
CN-115397811-B Isoindoline derivatives binding to ATP binding sites 奈奥芬莱有限公司 2025-05-23 CN disclosed
EP-4093731-A1 ISOINDOLINE DERIVATIVES WHICH BIND TO AN ATP BINDING SITE Neophore Limited (GB) 2022-11-30 EP disclosed
CN-115397811-A Isoindoline derivatives that bind to ATP binding sites 奈奥芬莱有限公司 2022-11-25 CN disclosed