SCHEMBL3943436

SCHEMBL3943436

COc1ccc(CCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3cccc(Cl)c3)NC(=O)N2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44

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 0.94 TSHR (0.49) TSHRHTTMAPK10RXFP1
SCHEMBL3950668 0.94 TP53 (0.43)
SCHEMBL3951120 0.93 TSHR (0.47) TSHRHTTMAPK10
SCHEMBL3942037 0.92 TP53 (0.45)
SCHEMBL3945413 0.92 MEN1 (0.52)
SCHEMBL3952481 0.91 PKM (0.54) TSHRHTTMAPK10RXFP1
SCHEMBL13942370 0.91 TSHR (0.46) TSHRHTTMAPK10RXFP1
SCHEMBL3943432 0.90 RXFP1 (0.51) TSHRHTTMAPK10RXFP1
SCHEMBL3941699 0.90 PKM (0.51) TSHRHTTMAPK10
SCHEMBL3946673 0.89 PKM (0.44) TSHRHTT

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