SCHEMBL3144479

SCHEMBL3144479

COc1ccc(-c2cccc(S)c2-c2ccc(OC)cc2)cc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.41
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
IDH2 P48735 1/20 0.35
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 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
SCHEMBL3132266 1.00 ENPP1 (0.41) ENPP1HDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL3126988 0.99 ENPP1 (0.41) ENPP1HDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL1089839 0.87 ENPP1 (0.38) ENPP1KMT2AMEN1IDH2PTGS1
SCHEMBL3132992 0.87 ENPP1 (0.38) ENPP1KMT2AMEN1IDH2PTGS1
Trifluoromethanesulfonic Acid SCHEMBL3143639 0.87 ENPP1 (0.46) ENPP1HDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL3186467 0.87 HSD17B10 (0.36) SMN1; SMN2MAPTRAB9AKMT2AMEN1
SCHEMBL3129927 0.86 ENPP1 (0.38) ENPP1KMT2AMEN1IDH2PTGS1
SCHEMBL3126297 0.86 MAPT (0.34) MAPTKMT2AMEN1LMNAHTT
SCHEMBL3136046 0.86 USP7 (0.35) PTPN1BACE1
SCHEMBL3139678 0.86 ENPP1 (0.36) ENPP1PTPN1PTGS1PTGS2

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