SCHEMBL3950563

SCHEMBL3950563

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL3939707 0.94 RXFP1 (0.44) MEN1KMT2A
SCHEMBL3952068 0.90 MEN1 (0.48) MEN1KMT2ALMNA
SCHEMBL3947537 0.90 MEN1 (0.50) MEN1KMT2ACTDSP1
SCHEMBL3951498 0.89 RXFP1 (0.42) MEN1KMT2ALMNA
SCHEMBL3950864 0.89 LMNA (0.50) MEN1KMT2ALMNA
SCHEMBL3941781 0.89 TP53 (0.47)
SCHEMBL3945382 0.89 TP53 (0.46) MMP1MMP2MMP9MMP12
SCHEMBL13942057 0.89 MMP1 (0.41) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL3949402 0.89 PKM (0.48) MEN1KMT2ALMNAMMP1MMP2
SCHEMBL3947411 0.88 MEN1 (0.50) 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 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