SCHEMBL3942701

SCHEMBL3942701

COc1cccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3cccc(C#N)c3)NC(=O)N2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 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
SCHEMBL3942078 0.95 PKM (0.46) PKMRXFP1L3MBTL1TP53
SCHEMBL3941702 0.94 RXFP1 (0.47) RXFP1
SCHEMBL3944657 0.93 PKM (0.52) PKMRXFP1L3MBTL1TP53
SCHEMBL3951605 0.93 RXFP1 (0.46) RXFP1
SCHEMBL3942352 0.93 PKM (0.47) PKMRXFP1
SCHEMBL3942026 0.93 PKM (0.44) PKMRXFP1L3MBTL1
SCHEMBL3945382 0.92 TP53 (0.46) PKML3MBTL1TP53
SCHEMBL3943534 0.92 RXFP1 (0.40) PKMRXFP1
SCHEMBL3949157 0.91 RXFP1 (0.53) PKMRXFP1
SCHEMBL3951199 0.91 RXFP1 (0.48) RXFP1L3MBTL1

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