SCHEMBL3942708

SCHEMBL3942708

COc1ccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3ccc(C#N)cc3)NC(=O)N2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL3950746 0.94 RXFP1 (0.49) RXFP1PKMMEN1KMT2A
SCHEMBL4533026 0.93 PKM (0.52) RXFP1PKMTSHRHTTMAPK10
SCHEMBL3943432 0.93 RXFP1 (0.51) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL4521555 0.92 RXFP1 (0.59) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL3944881 0.92 RXFP1 (0.65) RXFP1PKMMEN1KMT2ATSHR
SCHEMBL3952481 0.91 PKM (0.54) RXFP1PKMTSHRHTTMAPK10
SCHEMBL13943102 0.91 RXFP1 (0.49) RXFP1MEN1KMT2ATSHRHTT
SCHEMBL3947170 0.89 PKM (0.61) RXFP1PKMTSHRHTTMAPK10
SCHEMBL3950755 0.89 RXFP1 (0.53) RXFP1TSHRHTTMAPK10
SCHEMBL3945413 0.88 MEN1 (0.52) MEN1KMT2A

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