SCHEMBL3950668

SCHEMBL3950668

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.42
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
SCHEMBL3942037 0.97 TP53 (0.45) TP53PKML3MBTL1
SCHEMBL3945382 0.94 TP53 (0.46) TP53PKML3MBTL1
SCHEMBL3941781 0.94 TP53 (0.47) TP53PKML3MBTL1
SCHEMBL3943436 0.94 TSHR (0.46)
SCHEMBL3947411 0.92 MEN1 (0.50) PKM
SCHEMBL3946673 0.91 PKM (0.44) TP53PKM
SCHEMBL3944160 0.91 PKM (0.54) TP53PKML3MBTL1
SCHEMBL3952068 0.90 MEN1 (0.48)
SCHEMBL3951120 0.90 TSHR (0.47) TP53
SCHEMBL3942026 0.89 PKM (0.44) PKML3MBTL1

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