SCHEMBL8757253

SCHEMBL8757253

C[S+](C)CC(=O)c1ccc(C#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
NSD2 O96028 1/20 0.41
EPHX2 P34913 1/20 0.41
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL1146988 0.79 RAB9A (0.71) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL11983785 0.78 GSK3B (0.70) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL319223 0.76 GSK3B (0.68) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL2330045 0.76 GSK3B (0.53) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL14275200 0.76 GSK3B (0.61) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL3362638 0.76 GSK3B (0.61) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL8756237 0.75 GSK3B (0.57) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL8286989 0.75 GSK3B (0.66) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL8757220 0.75 GSK3B (0.57) GSK3BCA1CA2RAB9AALDH1A1
SCHEMBL10222530 0.75 GSK3B (0.66) GSK3BCA1CA2RAB9AALDH1A1

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-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed