SCHEMBL9752832

SCHEMBL9752832

N#CC1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.50
MAOB P27338 6/20 0.50
MAPKAPK2 P49137 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTR2A P28223 1/20 0.33
AOC2 O75106 5/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
DAO P14920 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL29194950 0.83 PIM1 (0.34) MAOAMAOBNISCHTSHR
SCHEMBL9751994 0.80 MAOA (0.50) MAOAMAOBNISCHHTR2AAOC2
SCHEMBL10706601 0.72 MAOA (0.38) MAOAMAOBMAPKAPK2NISCH
Xanthene SCHEMBL28185246 0.71 MAOA (0.74) MAOAMAOBMAPKAPK2
Xanthene SCHEMBL8797707 0.71 MAOA (0.94) MAOAMAOBMAPKAPK2HTR2A
Xanthene SCHEMBL6192065 0.71 MAOA (0.94) MAOAMAOBMAPKAPK2HTR2A
Iodide SCHEMBL29719539 0.71 MAOB (0.37) MAOAMAOBNISCHAOC2CHRM2
SCHEMBL4289906 0.69 CA2 (0.41) NISCHCHRM2CHRM4CHRM5CHRM1
SCHEMBL5695479 0.69 CA2 (0.41) NISCHCHRM2CHRM4CHRM5CHRM1
Xanthene SCHEMBL11602030 0.69 MAOA (0.90) MAOAMAOBMAPKAPK2HTR2A

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-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed