SCHEMBL9503505

SCHEMBL9503505

C=Cc1ccc2c([nH]c3ccccc32)c1C=CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39

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
SCHEMBL159726 0.82 KIF11 (0.49) KIF11PIM1PIM3PIM2GABRP
Benzene SCHEMBL26657973 0.81 KIF11 (0.47) KIF11PIM1PIM3PIM2GABRP
SCHEMBL9452537 0.81 MAPT (0.51) KIF11PIM1PIM3PIM2GABRP
SCHEMBL27574548 0.79 MEN1 (0.54) KIF11PIM1PIM3PIM2GABRP
SCHEMBL9502084 0.77 PIM3 (0.44) KIF11PIM1PIM3PIM2GABRP
SCHEMBL30441118 0.77 KIF11 (0.46) KIF11PIM1PIM3PIM2GABRP
Pavettine SCHEMBL27567033 0.77 KIF11 (0.46) KIF11PIM1PIM3PIM2GABRP
SCHEMBL11508921 0.77 KIF11 (0.46) KIF11PIM1PIM3PIM2GABRP
SCHEMBL15413497 0.74 DYRK1A (0.49) KIF11PIM1PIM3PIM2GABRP
Pavettine SCHEMBL28190811 0.74 KIF11 (0.46) KIF11PIM1PIM3PIM2GABRP

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-0235038-B1 VISIBLE-RAY RECORDING HOLOGRAM MATERIAL FUJITSU LIMITED (JP) 1993-05-26 EP claimed