SCHEMBL8496286

SCHEMBL8496286

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.39

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
SNCA P37840 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PRSS1 P07477 3/20 0.36
ACR P10323 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3959387 1.00 SNCA (0.39) SNCAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3959379 0.95 SMN1; SMN2 (0.42) SNCAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5619616 0.95 SMN1; SMN2 (0.42) SNCAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8494334 0.95 ALDH1A1 (0.43) ALDH1A1LMNAMAPTTDP1BCHE
SCHEMBL8496412 0.90 HTT (0.41) SNCAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL64967 0.88 HTT (0.40) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL8493768 0.87 SMN1; SMN2 (0.36) SNCAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8585387 0.87 POLB (0.38) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Trifluoromethanesulfonic Acid SCHEMBL8494193 0.85 BCHE (0.37) ALDH1A1LMNAHTTSMN1; SMN2BCHE
SCHEMBL8498317 0.84 MAPT (0.36) ALDH1A1LMNAHTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624787-A NITROGENOUS COMPOUND AND SULFONIUM COMPOUND FOR POSITIVE PHOTORESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US claimed
EP-0665220-B1 Novel sulfonium salt and chemically amplified positive resist composition SHINETSU CHEMICAL CO (JP) 1999-04-07 EP disclosed
US-5691112-A P-TOLUENESULFONIC ACID TRIS(P-TERT-BUTOXYPHENYL) SULFONIUM AS PHOTOSENSITIVE ACID GENERATOR; FORMING SOLUBLE SURFACE LAYER SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5633409-A POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-05-27 US disclosed
US-5624787-A NITROGENOUS COMPOUND AND SULFONIUM COMPOUND FOR POSITIVE PHOTORESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0665220-A1 Novel sulfonium salt and chemically amplified positive resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed