SCHEMBL3949402

SCHEMBL3949402

COc1cccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3ccc(OC)nc3)NC(=O)N2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL3946633 0.94 RXFP1 (0.52) PKMRXFP1MEN1KMT2A
SCHEMBL3947537 0.92 MEN1 (0.50) PKMMEN1KMT2A
SCHEMBL3945411 0.89 RXFP1 (0.58) PKMRXFP1MEN1KMT2ALMNA
SCHEMBL3945209 0.89 HTT (0.56) PKMRXFP1MEN1KMT2ALMNA
SCHEMBL3950563 0.89 MEN1 (0.42) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL3943430 0.89 PKM (0.58) PKMRXFP1
SCHEMBL3946602 0.89 PKM (0.61) PKMRXFP1
SCHEMBL3951498 0.88 RXFP1 (0.42) PKMRXFP1MEN1KMT2ALMNA
SCHEMBL13942747 0.88 PKM (0.51) PKMRXFP1MEN1KMT2AMMP1
SCHEMBL13942745 0.88 PKM (0.51) PKMRXFP1MEN1KMT2ALMNA

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