SCHEMBL4716231

SCHEMBL4716231

N#C/C=C/c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
APP P05067 2/20 0.39
ENPP2 Q13822 1/20 0.39
FDPS P14324 1/20 0.39
KIF11 P52732 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
AR P10275 3/20 0.33
NFE2L2 Q16236 2/20 0.33
P4HB P07237 1/20 0.33
MPL P40238 2/20 0.33
GPR3 P46089 1/20 0.32

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
SCHEMBL4716235 1.00 KDM4E (0.40) KDM4EAPPENPP2FDPSKIF11
SCHEMBL4716233 1.00 KDM4E (0.40) KDM4EAPPENPP2FDPSKIF11
SCHEMBL9005576 0.81 NPFFR2 (0.47) KDM4EAPPENPP2FDPSCTSS
SCHEMBL9005571 0.81 NPFFR2 (0.47) KDM4EAPPENPP2FDPSCTSS
SCHEMBL10331382 0.80 NFE2L2 (0.52) KDM4EENPP2FDPSNFE2L2P4HB
SCHEMBL15282103 0.80 NFE2L2 (0.52) KDM4EENPP2FDPSNFE2L2P4HB
SCHEMBL2089750 0.77 APP (0.42) APPKIF11ARNFE2L2MPL
SCHEMBL29110062 0.77 APP (0.42) KDM4EAPPKIF11ARNFE2L2
SCHEMBL2089748 0.77 APP (0.42) APPKIF11ARNFE2L2MPL
SCHEMBL29110066 0.77 APP (0.42) KDM4EAPPKIF11ARNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed