P-Toluenesulfonamide

P-Toluenesulfonamide

SCHEMBL8071454

Cc1ccc(S(N)(=O)=O)cc1.O.O.O

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of P-Toluenesulfonamide. 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
PTGS2 known ✓ P35354 5/20 0.60
PTGS1 known ✓ P23219 2/20 0.60
CA2 P00918 11/20 0.95
CA9 Q16790 10/20 0.95
CA12 O43570 9/20 0.95
CA1 P00915 8/20 0.95
CA7 P43166 4/20 0.95
CA6 P23280 3/20 0.95
CA5A P35218 3/20 0.95
CA5B Q9Y2D0 3/20 0.95
CA3 P07451 2/20 0.95
PTPN7 P35236 1/20 0.62
GAA P10253 1/20 0.59
CA4 P22748 3/20 0.58
CA13 Q8N1Q1 2/20 0.56
CA14 Q9ULX7 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AGO2 Q9UKV8 1/20 0.56

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
P-Toluenesulfonamide SCHEMBL8070437 1.00 CA2 (0.95) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL8370623 0.97 CA2 (0.90) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL1331323 0.97 CA2 (1.00) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL7370 0.97 CA2 (1.00) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL31527821 0.97 CA2 (1.00) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL15401330 0.95 CA2 (0.95) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL5492056 0.95 CA2 (0.95) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL9377640 0.95 CA2 (0.95) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL8376384 0.95 CA2 (0.95) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL391243 0.95 CA2 (0.95) CA2CA9CA12CA1CA7

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-6153366-A MULTILAYER; SUPPORTS, SILVER HALIDE EMULSION, HYDROPHILIC COLLOID MIXTURE OF POLYMER AND GELATIN KONICA CORPORATION (JP) 2000-11-28 US disclosed