SCHEMBL3879511

SCHEMBL3879511

COc1ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc2c1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 7/20 0.48
MAOA P21397 3/20 0.48
CNR2 P34972 4/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.43
S1PR1 P21453 1/20 0.43

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
SCHEMBL4042357 0.87 CNR2 (0.54) TP53MAPTMAOBMAOACNR2
SCHEMBL4522651 0.87 MAOB (0.59) TP53MAPTMAOBMAOACNR2
SCHEMBL3882211 0.87 CNR2 (0.52) TP53MAPTMAOBMAOACNR2
SCHEMBL4522656 0.86 TP53 (0.50) TP53MAPTMAOBMAOACNR2
SCHEMBL3882544 0.84 S1PR1 (0.54) TP53MAPTMAOBMAOACNR2
SCHEMBL3883450 0.84 S1PR1 (0.52) TP53MAPTMAOBMAOACNR2
SCHEMBL3883904 0.84 CNR2 (0.58) TP53MAPTMAOBMAOACNR2
SCHEMBL4518185 0.84 TP53 (0.48) TP53MAPTMAOBMAOACNR2
SCHEMBL3880309 0.83 TP53 (0.56) TP53MAPTMAOBMAOACNR2
SCHEMBL4532090 0.83 CNR2 (0.59) TP53MAPTMAOBMAOACNR2

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
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO claimed