Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30462425

Cc1c(O)cc(O)c(C(=O)N2Cc3ccc(CN4CCN(CCOCCOCCOCCN)CC4)cc3C2)c1OCc1ccccc1.Cl

nearest known ligand 0.44

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
HSP90AA1 known ✓ P07900 2/20 0.44
HSP90AB1 known ✓ P08238 2/20 0.44
HTR2A known ✓ P28223 2/20 0.43
HTR7 known ✓ P34969 2/20 0.43
MAOB known ✓ P27338 7/20 0.39
MAOA known ✓ P21397 3/20 0.39
SIGMAR1 known ✓ Q99720 2/20 0.37
HTR1A known ✓ P08908 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37
HTR6 known ✓ P50406 1/20 0.37
CHRM1 known ✓ P11229 1/20 0.37
SLC6A2 known ✓ P23975 1/20 0.37
HRH2 known ✓ P25021 1/20 0.37
HRH1 known ✓ P35367 1/20 0.37
HRH3 known ✓ Q9Y5N1 1/20 0.37
HSP90B1 P14625 1/20 0.44
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.38

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 SCHEMBL25229510 1.00 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25511637 0.99 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25511806 0.95 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25234560 0.90 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL25222618 0.88 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1HTR2AKDM4E
SCHEMBL30301547 0.88 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1HTR2AKDM4E
SCHEMBL25208478 0.87 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL30462412 0.86 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL30462403 0.86 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7
SCHEMBL29263229 0.85 SIGMAR1 (0.42) HSP90AA1HSP90AB1HSP90B1HTR2AHTR7

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-4441040-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2024-10-09 EP disclosed
WO-2023094833-A1 INDOLINES AS PROTAC COMPOUNDS Neophore Limited (GB) 2023-06-01 WO disclosed