SCHEMBL3140907

SCHEMBL3140907

COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

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 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3144314 0.86 GAA (0.40) KMT2AFFAR1MAPK1GAAMEN1
SCHEMBL64189 0.83 CA12 (0.47) HTTSMN1; SMN2KMT2AALDH1A1LMNA
Trifluoromethanesulfonic Acid SCHEMBL3140872 0.83 ACHE (0.39) SMN1; SMN2KMT2A
SCHEMBL7133269 0.83 CA12 (0.47) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL47546 0.83 KDM4E (0.38) HTTSMN1; SMN2KMT2AALDH1A1MAPK1
SCHEMBL3139546 0.83 CYP2C9 (0.33) SMN1; SMN2KMT2ALMNATDP1CA12
SCHEMBL2964104 0.82 CA12 (0.46) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3144525 0.82 CA12 (0.46) HTTSMN1; SMN2KMT2AALDH1A1LMNA
Bromide SCHEMBL3137186 0.82 KDM4E (0.37) HTTSMN1; SMN2KMT2AALDH1A1MAPK1
P-Xylene SCHEMBL3404430 0.82 GAA (0.46) HTTSMN1; SMN2KMT2AALDH1A1LMNA

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