Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30807136

CCOC(=O)[C@H](CCc1nc2cc(N(CCCl)CCCl)ccc2n1C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(F)cc1.Cl.Cl

nearest known ligand 0.46

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
▸ HDAC1 known ✓ Q13547 3/20 0.46
▸ HDAC6 known ✓ Q9UBN7 3/20 0.46
▸ HDAC3 known ✓ O15379 2/20 0.46
▸ HDAC4 known ✓ P56524 2/20 0.46
▸ HDAC2 known ✓ Q92769 2/20 0.46
▸ HDAC8 known ✓ Q9BY41 2/20 0.46
▸ HDAC5 known ✓ Q9UQL6 2/20 0.46
▸ PTGS1 known ✓ P23219 2/20 0.46
▸ HDAC10 known ✓ Q969S8 1/20 0.46
▸ CHRM2 known ✓ P08172 1/20 0.34
▸ ADRA2A known ✓ P08913 1/20 0.34
▸ CHRM1 known ✓ P11229 1/20 0.34
▸ ACHE known ✓ P22303 1/20 0.34
▸ OPRM1 known ✓ P35372 1/20 0.34
▸ DRD3 known ✓ P35462 1/20 0.34
▸ SLC6A3 known ✓ Q01959 1/20 0.34
▸ KCNH2 known ✓ Q12809 1/20 0.34
▸ REN known ✓ P00797 1/20 0.31
▸ CYP3A4 P08684 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34

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 SCHEMBL29184675 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL30807165 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184677 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184704 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL24754752 0.99 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL24754848 0.99 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184611 0.95 HDAC3 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184614 0.95 HDAC3 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL30807123 0.95 HDAC6 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL29184729 0.95 HDAC6 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2

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
CN-117794580-A Polypeptide coupling medicine 肿瘤多肽有限公司 2024-03-29 — — CN disclosed
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