SCHEMBL3820693

SCHEMBL3820693

O=C1NC(=O)C(c2cccc(Cl)c2)=C1c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.63
PTGS2 P35354 2/20 0.54
GSK3A P49840 4/20 0.54
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
BRDT Q58F21 1/20 0.51
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
TDP2 O95551 2/20 0.48
STK10 O94804 1/20 0.47
SLK Q9H2G2 1/20 0.47

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
SCHEMBL934146 0.91 GSK3B (0.65) GSK3BPTGS2GSK3AADORA2AADORA1
SCHEMBL3819171 0.88 GSK3B (0.51) GSK3BPTGS2GSK3AADORA2AADORA1
SCHEMBL18049421 0.88 GSK3B (0.60) GSK3BPTGS2GSK3AADORA2AADORA1
SCHEMBL18049438 0.88 GSK3B (0.51) GSK3BPTGS2GSK3AADORA2AADORA1
SCHEMBL3816794 0.85 GSK3B (0.67) GSK3BPTGS2GSK3A
SCHEMBL3823530 0.85 GSK3B (0.51) GSK3BPTGS2GSK3A
SCHEMBL27950468 0.84 PTGS2 (0.69) GSK3BPTGS2GSK3A
SCHEMBL30999908 0.84 GSK3B (0.55) GSK3BGSK3AADORA2AADORA1BRDT
SCHEMBL18049423 0.83 PTGS2 (0.71) GSK3BPTGS2GSK3AADORA2AADORA1
SCHEMBL13204641 0.83 GSK3B (0.52) GSK3BGSK3AADORA2AADORA1BRDT

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
WO-2016144352-A2 THERAPEUTIC COMPOSITIONS INCLUDING ACRYLAMIDO COMPOUNDS OR PHENYL-SUBSTITUTED MALEIMIDE COMPOUNDS, VARIANTS THEREOF AND METHODS OF USING THE SAME STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2016-09-15 WO disclosed
EP-2091531-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT Congenia S.r.l. (IT) 2009-08-26 EP disclosed
WO-2008067863-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2008-06-12 WO disclosed