SCHEMBL3947294

SCHEMBL3947294

COc1cccc(CCC2=C(C(=O)OCc3cccc(F)c3)C(c3cncc(C#N)c3)NC(=O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL3944379 0.93 MMP1 (0.41) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL3946809 0.93 MEN1 (0.45) PKMMEN1KMT2A
SCHEMBL3943534 0.92 RXFP1 (0.40) PKMRXFP1MEN1KMT2A
SCHEMBL3950554 0.91 PKM (0.52) PKMRXFP1
SCHEMBL3950746 0.90 RXFP1 (0.49) PKMRXFP1MEN1KMT2ALMNA
SCHEMBL3944160 0.88 PKM (0.54) PKMRXFP1
SCHEMBL3943104 0.87 RXFP1 (0.44) RXFP1MEN1KMT2A
SCHEMBL13942747 0.87 PKM (0.51) PKMRXFP1MEN1KMT2AMMP1
SCHEMBL3942926 0.87 HTT (0.51) PKMMEN1KMT2ALMNA
SCHEMBL13942745 0.87 PKM (0.51) PKMRXFP1MEN1KMT2AMMP1

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