SCHEMBL3140909

SCHEMBL3140909

CC(C)(C)c1ccc(-c2cccc(S)c2-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

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
LMNA P02545 2/20 0.42
EDNRA P25101 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2C Q14957 1/20 0.38
HSD11B1 P28845 1/20 0.38
PTGS2 P35354 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.91 LMNA (0.44) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL3132925 0.90 ALDH1A1 (0.42) LMNABCHEACHEMAPTALDH1A1
SCHEMBL3143584 0.90 ALDH1A1 (0.42) LMNABCHEACHEMAPTALDH1A1
SCHEMBL3134809 0.90 MMP2 (0.40) LMNAMAPTALDH1A1HTTHSD11B1
SCHEMBL3135090 0.86 LMNA (0.45) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL3137420 0.85 PTGS2 (0.44) LMNABCHEACHEMAPTALDH1A1
SCHEMBL3136311 0.85 PTGS2 (0.44) LMNABCHEACHEMAPTALDH1A1
SCHEMBL219087 0.85 TDP1 (0.36) LMNABCHEACHEMAPTALDH1A1
SCHEMBL3139786 0.83 MEN1 (0.43) LMNAEDNRAMAPTHTTHSD11B1
SCHEMBL3143806 0.83 PTGS2 (0.42) LMNABCHEACHEMAPTALDH1A1

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