SCHEMBL8084015

SCHEMBL8084015

N#CCC=Cc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.61
PTGS1 P23219 3/20 0.49
PTGS2 P35354 1/20 0.49
NQO2 P16083 1/20 0.47
FBP1 P09467 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
THPO P40225 1/20 0.46
NPC1 O15118 1/20 0.46
CHRM5 P08912 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
RELA Q04206 1/20 0.45
USP20 Q9Y2K6 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL2088904 0.84 NFE2L2 (0.59) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL2088902 0.84 NFE2L2 (0.59) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL16957356 0.83 NFE2L2 (0.52) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL700537 0.77 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL31317689 0.77 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL700536 0.77 NFE2L2 (1.00) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL1431422 0.77 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL8333086 0.77 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL1431132 0.77 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1
SCHEMBL22693 0.77 NFE2L2 (0.65) NFE2L2PTGS1PTGS2NQO2FBP1

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-1042275-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 2000-10-11 EP disclosed
WO-1999029657-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 1999-06-17 WO disclosed