SCHEMBL2372356

SCHEMBL2372356

O=S(=O)(/C=C/c1ccc(Cl)cc1)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 2/20 0.45
PTGES2 Q9H7Z7 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
NOS2 P35228 1/20 0.41
NFE2L2 Q16236 3/20 0.40
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
GPR183 P32249 1/20 0.40
AHR P35869 1/20 0.38

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
SCHEMBL1194781 1.00 MEN1 (0.46) MEN1KMT2ABRAFPTGES2MAPT
SCHEMBL827908 1.00 MEN1 (0.46) MEN1KMT2ABRAFPTGES2MAPT
SCHEMBL1194082 1.00 MEN1 (0.46) MEN1KMT2ABRAFPTGES2MAPT
SCHEMBL1194779 1.00 MEN1 (0.46) MEN1KMT2ABRAFPTGES2MAPT
SCHEMBL827907 1.00 MEN1 (0.46) MEN1KMT2ABRAFPTGES2MAPT
SCHEMBL1194116 0.92 NFE2L2 (0.44) MEN1KMT2APTGES2MAPTNFE2L2
SCHEMBL827452 0.92 NFE2L2 (0.44) MEN1KMT2APTGES2MAPTNFE2L2
SCHEMBL827453 0.92 NFE2L2 (0.44) MEN1KMT2APTGES2MAPTNFE2L2
SCHEMBL1194500 0.92 KMT2A (0.51) MEN1KMT2AMAPTNFE2L2GPR183
SCHEMBL1194436 0.92 KMT2A (0.51) MEN1KMT2AMAPTNFE2L2GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552199-A1 IMPROVED STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE Onconova Therapeutics, Inc. (US) 2013-02-06 EP disclosed
WO-2011119863-A1 IMPROVED STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE ONCONOVA THERAPEUTICS, INC. (US) 2011-09-29 WO disclosed