SCHEMBL8495003

SCHEMBL8495003

FC(F)(F)c1ccc(CN(Cc2ccccc2)/N=C/c2cccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 12/20 0.78
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.43
ADORA2A P29274 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8495006 1.00 G6PC1 (0.78) G6PC1POLBMAPTMAPK1NPC1
SCHEMBL8497161 0.87 G6PC1 (0.73) G6PC1MAPTMAPK1
SCHEMBL8497166 0.87 G6PC1 (0.73) G6PC1MAPTMAPK1
SCHEMBL8498717 0.79 G6PC1 (0.76) G6PC1MAPTMAPK1TAAR1GAA
SCHEMBL8498716 0.79 G6PC1 (0.76) G6PC1MAPTMAPK1TAAR1GAA
SCHEMBL8498656 0.78 G6PC1 (0.74) G6PC1
SCHEMBL8498660 0.78 G6PC1 (0.74) G6PC1
SCHEMBL8496820 0.77 G6PC1 (0.52) G6PC1POLBMAPTMAPK1TDP1
SCHEMBL8496822 0.77 G6PC1 (0.52) G6PC1POLBMAPTMAPK1TDP1
SCHEMBL8498983 0.76 G6PC1 (0.71) G6PC1POLBMAPTMAPK1NPC1

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-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO disclosed