SCHEMBL3947064

SCHEMBL3947064

COc1cccc(CCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3ccc4[nH]cnc4c3)NC(=O)N2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
BLM P54132 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 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
SCHEMBL3942157 0.94 TSHR (0.43) MEN1KMT2ATSHRHTTMAPK10
SCHEMBL3950014 0.89 CTDSP1 (0.42) CTDSP1MEN1KMT2ATSHRLMNA
SCHEMBL3947960 0.89 PKM (0.47) CTDSP1MEN1KMT2ATSHRLMNA
SCHEMBL3949868 0.89 MEN1 (0.40) CTDSP1MEN1KMT2ALMNA
SCHEMBL3952211 0.89 GAA (0.43) CTDSP1MEN1KMT2ATSHRLMNA
SCHEMBL3941781 0.88 TP53 (0.47)
SCHEMBL3945382 0.88 TP53 (0.46)
SCHEMBL3943301 0.88 HTT (0.47) MEN1KMT2ATSHRLMNAGAA
SCHEMBL3952068 0.87 MEN1 (0.48) MEN1KMT2ALMNA
SCHEMBL3945195 0.87 TSHR (0.44) MEN1KMT2ATSHR

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