SCHEMBL3946633

SCHEMBL3946633

COc1ccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3ccc(OC)nc3)NC(=O)N2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3949402 0.94 PKM (0.48) RXFP1PKMMEN1KMT2A
SCHEMBL3942889 0.91 RXFP1 (0.46) RXFP1TSHRHTTMAPK10MEN1
SCHEMBL3946330 0.90 MEN1 (0.54) RXFP1TSHRHTTMAPK10MEN1
SCHEMBL3944881 0.89 RXFP1 (0.65) RXFP1PKMTSHRHTTMEN1
SCHEMBL3945209 0.89 HTT (0.56) RXFP1PKMTSHRHTTMEN1
SCHEMBL3939707 0.89 RXFP1 (0.44) RXFP1TSHRHTTMAPK10MEN1
SCHEMBL3947170 0.89 PKM (0.61) RXFP1PKMTSHRHTTMAPK10
SCHEMBL3941629 0.87 PKM (0.57) RXFP1PKMTSHRHTTMAPK10
SCHEMBL3952043 0.86 RXFP1 (0.47) RXFP1TSHRHTTMAPK10
SCHEMBL3947537 0.85 MEN1 (0.50) PKMTSHRMEN1KMT2A

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