Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11813656

CCN(CC)CC(=O)c1ccc2c(c1)Cc1c(cccc1C(=O)CN(CC)CC)S2.Cl.Cl.O

nearest known ligand 0.40

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
▸ AGTR1 known ✓ P30556 1/20 0.40
▸ PARP1 known ✓ P09874 1/20 0.33
▸ OPRK1 known ✓ P41145 2/20 0.32
▸ CHRM2 known ✓ P08172 1/20 0.32
▸ HTR1A known ✓ P08908 1/20 0.32
▸ CHRM1 known ✓ P11229 1/20 0.32
▸ DRD2 known ✓ P14416 1/20 0.32
▸ ADRA2B known ✓ P18089 1/20 0.32
▸ ADRA2C known ✓ P18825 1/20 0.32
▸ CHRM3 known ✓ P20309 1/20 0.32
▸ HTR2A known ✓ P28223 1/20 0.32
▸ HTR2C known ✓ P28335 1/20 0.32
▸ ADRA1A known ✓ P35348 1/20 0.32
▸ HRH1 known ✓ P35367 1/20 0.32
▸ OPRM1 known ✓ P35372 1/20 0.32
▸ DRD3 known ✓ P35462 1/20 0.32
▸ HTR2B known ✓ P41595 1/20 0.32
▸ KCNH2 known ✓ Q12809 1/20 0.32
▸ BCHE known ✓ P06276 1/20 0.31
▸ ACHE known ✓ P22303 1/20 0.31

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
SCHEMBL11819130 0.98 ALDH1A1 (0.41) MAPTALDH1A1KDM4EAGTR1MEN1
Hydrochloric Acid SCHEMBL11873000 0.86 MAPT (0.46) MAPTALDH1A1KDM4EAGTR1MEN1
Hydrochloric Acid SCHEMBL11816781 0.85 L3MBTL1 (0.40) MAPTMEN1KMT2AGMNNRAD52
SCHEMBL11811393 0.84 L3MBTL1 (0.38) MAPTMEN1KMT2AGMNNRAD52
SCHEMBL11818226 0.83 MAPT (0.48) MAPTALDH1A1KDM4EAGTR1MEN1
SCHEMBL11861021 0.79 THRA (0.35) MAPTALDH1A1KDM4EAGTR1MEN1
SCHEMBL11813184 0.78 ALDH1A1 (0.35) MAPTALDH1A1KDM4ESMN1; SMN2OPRK1
Hydrochloric Acid SCHEMBL11734361 0.75 MAOA (0.37) MAPTMEN1KMT2AGMNNRAD52
SCHEMBL11827023 0.75 CTNNB1 (0.36) KDM4ECNR1PDE4D
SCHEMBL11752267 0.72 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
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