Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4010772

Cl.NCc1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.67

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
CYP19A1 known ✓ P11511 3/20 0.59
HDAC2 known ✓ Q92769 2/20 0.58
HDAC8 known ✓ Q9BY41 2/20 0.58
HDAC6 known ✓ Q9UBN7 2/20 0.58
HTR6 known ✓ P50406 2/20 0.57
CA2 known ✓ P00918 1/20 0.56
HDAC3 known ✓ O15379 1/20 0.52
HDAC4 known ✓ P56524 1/20 0.52
HDAC1 known ✓ Q13547 1/20 0.52
HDAC7 known ✓ Q8WUI4 1/20 0.52
HDAC10 known ✓ Q969S8 1/20 0.52
HDAC11 known ✓ Q96DB2 1/20 0.52
HDAC9 known ✓ Q9UKV0 1/20 0.52
HDAC5 known ✓ Q9UQL6 1/20 0.52
KEAP1 Q14145 1/20 0.67
HTT P42858 1/20 0.58
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL4615322 0.98 KEAP1 (0.69) KEAP1CYP19A1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL4613703 0.87 KEAP1 (0.71) KEAP1CYP19A1CA12CA9CYP1A2
SCHEMBL14302919 0.85 KEAP1 (0.73) KEAP1CYP19A1CA12CA9CYP1A2
SCHEMBL14025561 0.84 KEAP1 (0.71) KEAP1CYP19A1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL3516799 0.83 KEAP1 (0.96) KEAP1HDAC2HDAC8HDAC6HTT
SCHEMBL4061585 0.83 KEAP1 (0.69) KEAP1CYP19A1HDAC2HDAC8HDAC6
SCHEMBL5032445 0.83 CYP19A1 (0.85) KEAP1CYP19A1HDAC2HDAC8HDAC6
SCHEMBL10268297 0.83 KEAP1 (0.69) KEAP1CYP19A1HDAC2HDAC8HDAC6
SCHEMBL31339948 0.83 CYP19A1 (0.85) KEAP1CYP19A1HDAC2HDAC8HDAC6
Benzylamine SCHEMBL27645863 0.81 KEAP1 (0.67) KEAP1CYP19A1CA12CA9CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 US disclosed
EP-1727790-A1 PHENYLAMINOETHANOL DERIVATIVES AS BETA2 RECEPTOR AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2005090288-A1 PHENYLAMINOETHANOL DERIVATES AS BETA2 RECEPTOR AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C CYP19A1 1149/4885HDAC2 969/4885HDAC8 2959/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.