SCHEMBL3941699

SCHEMBL3941699

COc1ccc(CCC2=C(C(=O)OCc3ccccc3)C(c3cccc(C#N)c3)NC(=O)N2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
MAPK10 P53779 1/20 0.50

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
SCHEMBL3945499 0.96 TSHR (0.49) TSHRHTTMAPK10
SCHEMBL3945413 0.95 MEN1 (0.52)
SCHEMBL3951120 0.93 TSHR (0.47) TSHRHTTMAPK10
SCHEMBL4533026 0.92 PKM (0.52) PKMTSHRHTTMAPK10
SCHEMBL3952481 0.90 PKM (0.54) PKMTSHRHTTMAPK10
SCHEMBL13942370 0.90 TSHR (0.46) TSHRHTTMAPK10
SCHEMBL3943436 0.90 TSHR (0.46) TSHRHTTMAPK10
SCHEMBL3943432 0.90 RXFP1 (0.51) TSHRHTTMAPK10
SCHEMBL3950733 0.90 PKM (0.55) PKM
SCHEMBL3945382 0.89 TP53 (0.46) PKM

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