SCHEMBL3946809

SCHEMBL3946809

COc1cccc(CCC2=C(C(=O)OCc3ccccc3)C(c3cncc(C#N)c3)NC(=O)N2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PKM P14618 1/20 0.44

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 0.95 MMP1 (0.41) MEN1KMT2A
SCHEMBL3947294 0.93 PKM (0.46) MEN1KMT2APKM
SCHEMBL3943534 0.90 RXFP1 (0.40) MEN1KMT2APKM
SCHEMBL3943104 0.88 RXFP1 (0.44) MEN1KMT2ATSHR
SCHEMBL13942602 0.88 MEN1 (0.47) MEN1KMT2AGAATSHRBLM
SCHEMBL3947411 0.87 MEN1 (0.50) MEN1KMT2APKM
SCHEMBL3945382 0.86 TP53 (0.46) PKM
SCHEMBL13942731 0.86 PKM (0.49) MEN1KMT2APKM
SCHEMBL13942057 0.86 MMP1 (0.41) MEN1KMT2A
SCHEMBL13942600 0.86 MEN1 (0.54) 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