SCHEMBL3942563

SCHEMBL3942563

COc1cccc(CCC2=C(C(=O)OCc3cc(F)cc(F)c3)C(c3ccncc3)NC(=O)N2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 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
SCHEMBL13942745 0.95 PKM (0.51) RXFP1PKMMEN1KMT2ALMNA
SCHEMBL4139090 0.93 RXFP1 (0.58) RXFP1PKMMEN1KMT2ALMNA
SCHEMBL13942600 0.91 MEN1 (0.54) PKMMEN1KMT2A
SCHEMBL13941770 0.88 LMNA (0.47) MEN1KMT2ALMNA
SCHEMBL3943805 0.88 PKM (0.60) RXFP1PKMMEN1KMT2A
SCHEMBL3945411 0.88 RXFP1 (0.58) RXFP1PKMMEN1KMT2ALMNA
SCHEMBL3949585 0.88 TSHR (0.51) MEN1KMT2A
SCHEMBL3951986 0.88 TSHR (0.47) RXFP1PKMMEN1KMT2ALMNA
SCHEMBL3943430 0.87 PKM (0.58) RXFP1PKM
SCHEMBL3946602 0.87 PKM (0.61) RXFP1PKM

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