SCHEMBL14812166

SCHEMBL14812166

Sc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
MAPKAPK2 P49137 1/20 0.42
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACSL1 P33121 1/20 0.31
AHR P35869 1/20 0.31
ALOX5 P09917 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL11842115 0.81 MAOA (0.55) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL11302124 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL8814941 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL16975012 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL3690493 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL1980248 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL88260 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL11223460 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL5782439 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1
SCHEMBL17060387 0.77 MAOA (0.59) MAOAMAOBMAPKAPK2GAANPSR1

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-2013041482-A1 SIDE CHAIN-FUNCTIONALIZED PEG Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2013-03-28 WO disclosed