SCHEMBL8109567

SCHEMBL8109567

NOc1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.62
MAOB P27338 16/20 0.58
MAOA P21397 14/20 0.58
AOC3 Q16853 1/20 0.54
EIF2AK2 P19525 1/20 0.53
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL703728 0.83 MAOB (0.58) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL29724095 0.83 MAOB (0.58) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL18850317 0.83 MAOB (0.58) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL15387034 0.83 MAOB (0.58) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL2842062 0.80 MAOB (0.80) MAOBMAOA
SCHEMBL1207052 0.79 MAOB (0.66) MAOBMAOAAOC3
SCHEMBL9379063 0.79 MAOB (0.58) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL29754335 0.79 MAOB (0.55) CA9MAOBMAOAAOC3EIF2AK2
SCHEMBL20715207 0.79 MAOB (0.55) CA9MAOBMAOAEIF2AK2
SCHEMBL28778453 0.79 MAOB (0.55) CA9MAOBMAOAAOC3EIF2AK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed