SCHEMBL3947537

SCHEMBL3947537

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3ccc(OC)nc3)NC(=O)N2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.47
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
SCHEMBL3949402 0.92 PKM (0.48) MEN1KMT2APKM
SCHEMBL3946330 0.92 MEN1 (0.54) MEN1KMT2ATSHR
SCHEMBL3943158 0.91 HTT (0.49) MEN1KMT2AGAATSHRBLM
SCHEMBL3950563 0.90 MEN1 (0.42) MEN1KMT2ACTDSP1
SCHEMBL3950845 0.89 MEN1 (0.58) MEN1KMT2A
SCHEMBL13942736 0.89 MEN1 (0.57) MEN1KMT2APKM
SCHEMBL3944709 0.88 PKM (0.57) MEN1KMT2AGAATSHRBLM
SCHEMBL13942731 0.87 PKM (0.49) MEN1KMT2APKM
SCHEMBL3944323 0.87 MEN1 (0.56) MEN1KMT2AGAATSHRBLM
SCHEMBL3950669 0.87 MEN1 (0.56) MEN1KMT2AGAATSHRBLM

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