SCHEMBL18255133

SCHEMBL18255133

C=C/C=C/c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.68
PTGS1 P23219 3/20 0.53
PTGS2 P35354 1/20 0.53
NQO2 P16083 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
NPC1 O15118 1/20 0.50
CHRM5 P08912 1/20 0.50
GRM5 P41594 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
FBP1 P09467 1/20 0.50
RELA Q04206 1/20 0.49
GRM4 Q14833 1/20 0.42

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
SCHEMBL29108870 1.00 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL19540032 1.00 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL700536 0.82 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL700537 0.82 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL31317689 0.82 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL1431578 0.79 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL29956427 0.79 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL1431522 0.79 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL1431518 0.79 NFE2L2 (0.68) NFE2L2PTGS1PTGS2NQO2CYP1A2
SCHEMBL2095485 0.78 NFE2L2 (0.74) NFE2L2PTGS1PTGS2NQO2CYP1A2

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
WO-2016185423-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed