SCHEMBL3947411

SCHEMBL3947411

COc1cccc(CCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3ccccc3)NC(=O)N2)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.47

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
SCHEMBL3945382 0.96 TP53 (0.46) PKM
SCHEMBL3941781 0.96 TP53 (0.47) PKM
SCHEMBL3952068 0.95 MEN1 (0.48) MEN1KMT2A
SCHEMBL3945413 0.93 MEN1 (0.52) MEN1KMT2A
SCHEMBL3952520 0.93 RXFP1 (0.53) MEN1KMT2APKM
SCHEMBL3944160 0.92 PKM (0.54) PKM
SCHEMBL3950668 0.92 TP53 (0.43) PKM
SCHEMBL3951120 0.91 TSHR (0.47)
SCHEMBL13942057 0.91 MMP1 (0.41) MEN1KMT2A
SCHEMBL13942736 0.90 MEN1 (0.57) MEN1KMT2APKM

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