SCHEMBL14224867

SCHEMBL14224867

CC(C)(c1ccc(-c2cccc(C#N)c2)cn1)c1ccc(-c2cccc(C#N)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.49
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRA5 P31644 6/20 0.46
GABRA3 P34903 6/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAP4K4 O95819 1/20 0.45
GABRA1 P14867 1/20 0.44
SGK1 O00141 1/20 0.44
IDO1 P14902 2/20 0.43
NPY5R Q15761 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KIT P10721 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
SCHEMBL18223984 0.85 SYK (0.53) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL3266198 0.80 CLK4 (0.53) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL23603566 0.78 CLK4 (0.51) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL5562910 0.76 MAP4K4 (0.62) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL6923115 0.76 CLK4 (0.53) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL3881340 0.76 CLK4 (0.53) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL4021783 0.76 CYP11B2 (0.56) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL5557633 0.76 CLK4 (0.54) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL5562878 0.76 GABRG2 (0.52) CLK4GABRG2GABRB3GABRA5GABRA3
SCHEMBL5558730 0.76 HSD17B1 (0.60) CLK4GABRG2GABRB3GABRA5GABRA3

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
US-20080079358-A1 Organic electroluminescent element FUJIFILM CORPORATION 2008-04-03 US disclosed