SCHEMBL3141168

SCHEMBL3141168

COc1cccc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 3/20 0.41
ACHE P22303 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAOB P27338 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL3143792 0.87 ALDH1A1 (0.48) HTTSMN1; SMN2MAPTPOLBACHE
SCHEMBL759993 0.87 ALDH1A1 (0.48) HTTSMN1; SMN2MAPTPOLBACHE
SCHEMBL8078742 0.85 HTT (0.41) HTTSMN1; SMN2TP53MAPTACHE
SCHEMBL6757962 0.85 HTT (0.41) HTTSMN1; SMN2TP53MAPTACHE
SCHEMBL3129105 0.84 NPSR1 (0.42) SMN1; SMN2MAPTL3MBTL1TDP1NPSR1
SCHEMBL2901199 0.84 MAPT (0.50) HTTSMN1; SMN2MAPTPOLBACHE
SCHEMBL3136665 0.84 TDP1 (0.42) HTTSMN1; SMN2MAPTACHEL3MBTL1
SCHEMBL7133269 0.83 CA12 (0.47) HTTSMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL64189 0.83 CA12 (0.47) HTTSMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL1089895 0.82 PKM (0.52) HTTSMN1; SMN2MAPTPOLBL3MBTL1

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