SCHEMBL3136311

SCHEMBL3136311

Cc1ccc(S(=O)(=O)O)cc1.Sc1cccc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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 P35354 6/20 0.44
PTGS1 P23219 3/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL3144542 0.93 LMNA (0.44) PTGS2PTGS1CYP2D6CYP1A2CYP2C19
SCHEMBL3135090 0.88 LMNA (0.45) PTGS2PTGS1CYP2D6CYP1A2CYP2C19
SCHEMBL3137420 0.87 PTGS2 (0.44) PTGS2PTGS1MAPTKDM4ELMNA
SCHEMBL3139853 0.85 MAPT (0.44) PTGS2PTGS1MAPTLMNAHTT
SCHEMBL3140909 0.85 LMNA (0.42) PTGS2PTGS1CYP2D6MAPTKDM4E
SCHEMBL3143584 0.85 ALDH1A1 (0.42) PTGS2PTGS1MAPTKDM4ELMNA
SCHEMBL3143806 0.85 PTGS2 (0.42) PTGS2PTGS1CYP1A2CYP2C19CYP3A4
SCHEMBL3132925 0.85 ALDH1A1 (0.42) PTGS2PTGS1MAPTKDM4ELMNA
SCHEMBL5408759 0.83 PTGDR2 (0.39) CYP2D6CYP1A2CYP2C19CYP3A4ALOX15
SCHEMBL219087 0.82 TDP1 (0.36) PTGS2PTGS1CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP disclosed