SCHEMBL3945458

SCHEMBL3945458

COc1ccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3ccccc3)NC(=O)N2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3951199 0.94 RXFP1 (0.48) RXFP1
SCHEMBL3949121 0.94 RXFP1 (0.60) RXFP1MEN1KMT2A
SCHEMBL3942352 0.93 PKM (0.47) RXFP1MEN1KMT2A
SCHEMBL3947224 0.93 PKM (0.51) RXFP1
SCHEMBL3950755 0.93 RXFP1 (0.53) RXFP1
SCHEMBL3941702 0.92 RXFP1 (0.47) RXFP1
SCHEMBL3946277 0.92 RXFP1 (0.47) RXFP1
SCHEMBL3951299 0.91 RXFP1 (0.46) RXFP1
SCHEMBL3942078 0.89 PKM (0.46) RXFP1
SCHEMBL3944771 0.88 RXFP1 (0.46) RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed