SCHEMBL5324596

SCHEMBL5324596

Fc1ccc(-c2nc3ncc(-c4cccc(C(F)(F)F)c4)cn3c2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL5343214 0.98 TDP1 (0.47) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5344366 0.93 TDP1 (0.43) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5344952 0.93 TDP1 (0.45) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5344560 0.90 MAPK14 (0.42) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5354199 0.90 NR1H4 (0.44) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5338540 0.88 AKT1 (0.46) TDP1NR3C1PGRAKT1AKT2
Hydrochloric Acid SCHEMBL5344599 0.87 AKT1 (0.45) TDP1NR3C1PGRAKT1AKT2
SCHEMBL5342580 0.86 TDP1 (0.47) TDP1NR3C1PGRMAOBADORA2A
SCHEMBL5346776 0.83 AKT1 (0.42) TDP1AKT1AKT2MAOBADORA2A
SCHEMBL5350061 0.83 TDP1 (0.39) TDP1NR3C1PGRAKT1AKT2

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
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed