SCHEMBL3944160

SCHEMBL3944160

COc1cccc(CCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3cccc(F)c3)NC(=O)N2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3950554 0.97 PKM (0.52) PKMRXFP1TP53L3MBTL1
SCHEMBL3941781 0.94 TP53 (0.47) PKMTP53L3MBTL1
SCHEMBL3945382 0.94 TP53 (0.46) PKMTP53L3MBTL1
SCHEMBL3952481 0.94 PKM (0.54) PKMRXFP1
SCHEMBL3952520 0.93 RXFP1 (0.53) PKMRXFP1
SCHEMBL3947411 0.92 MEN1 (0.50) PKM
SCHEMBL3946602 0.92 PKM (0.61) PKMRXFP1TP53
SCHEMBL3950746 0.91 RXFP1 (0.49) PKMRXFP1
SCHEMBL3950668 0.91 TP53 (0.43) PKMTP53L3MBTL1
SCHEMBL4533026 0.91 PKM (0.52) PKMRXFP1

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed