Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11832279

CC(C(=O)c1ccc(NS(C)(=O)=O)cc1)N1CCCCCC1.Cl

nearest known ligand 0.52

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
▸ GAA known ✓ P10253 2/20 0.52
▸ SLC6A2 known ✓ P23975 6/20 0.50
▸ CHRNB4 known ✓ P30926 6/20 0.50
▸ CHRNA3 known ✓ P32297 6/20 0.50
▸ SLC6A3 known ✓ Q01959 6/20 0.50
▸ CHRNA1 known ✓ P02708 4/20 0.50
▸ CHRNG known ✓ P07510 4/20 0.50
▸ CHRNB1 known ✓ P11230 4/20 0.50
▸ CHRND known ✓ Q07001 4/20 0.50
▸ SLC6A4 known ✓ P31645 1/20 0.49
▸ MAOB known ✓ P27338 1/20 0.45
▸ GLA known ✓ P06280 1/20 0.44
▸ ADRB2 known ✓ P07550 1/20 0.44
▸ ADRB1 known ✓ P08588 1/20 0.44
▸ ADRB3 known ✓ P13945 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ CHRNB2 P17787 5/20 0.50
▸ CHRNA4 P43681 5/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL11829251 0.99 ALDH1A1 (0.53) ALDH1A1KDM4EGAASLC6A2CHRNB4
SCHEMBL11836171 0.97 ALDH1A1 (0.52) ALDH1A1KDM4EGAASLC6A2CHRNB4
Hydrochloric Acid SCHEMBL10391005 0.80 SLC6A2 (0.64) ALDH1A1KDM4EGAASLC6A2CHRNB4
Hydrochloric Acid SCHEMBL9796932 0.80 SLC6A2 (0.64) ALDH1A1KDM4EGAASLC6A2CHRNB4
SCHEMBL11842246 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10391072 0.78 SLC6A2 (0.65) ALDH1A1KDM4EGAASLC6A2CHRNB4
SCHEMBL9796840 0.78 SLC6A2 (0.65) ALDH1A1KDM4EGAASLC6A2CHRNB4
Hydrochloric Acid SCHEMBL9796810 0.78 SLC6A3 (0.58) ALDH1A1KDM4EGAASLC6A2CHRNB4
Hydrochloric Acid SCHEMBL9797234 0.78 SLC6A3 (0.58) ALDH1A1KDM4EGAASLC6A2CHRNB4
Hydrochloric Acid SCHEMBL10728832 0.77 SLC6A2 (0.68) ALDH1A1KDM4EGAASLC6A2CHRNB4

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-3979514-A Process for interrupting pregnancy with sulfonamidoaminophene interceptive agents MEAD JOHNSON & COMPANY (US) 1976-09-07 — — US claimed
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