SCHEMBL9764896

SCHEMBL9764896

CC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.38
ALOX5 P09917 1/20 0.35
CA2 P00918 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
GRK2 P25098 1/20 0.34
MAOA P21397 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL9764908 0.99 MAOB (0.39) MAOBALOX5CA2NISCHGRK2
SCHEMBL9764914 0.85 MAOB (0.40) MAOBCA2MAOAADORA2B
SCHEMBL9764869 0.84 MAOB (0.37) MAOBCA2MAPTNPC1RAB9A
Ammonia Solution, Strong SCHEMBL9764887 0.84 MAOB (0.39) MAOBNISCHMAOAMAPTADORA2B
SCHEMBL10609848 0.83 MAOB (0.40) MAOBCA2MAOAMAPT
SCHEMBL10560471 0.82 MAOB (0.37) MAOBCA2MAPTNPC1RAB9A
SCHEMBL9764879 0.81 CA2 (0.39) MAOBALOX5CA2GRK2MAOA
SCHEMBL9764903 0.81 MAOB (0.42) MAOBCA2MAPTGAA
SCHEMBL9764872 0.81 MAOB (0.39) MAOBALOX5CA2MAPTNPC1
SCHEMBL10559466 0.80 ALOX5 (0.34) MAOBALOX5MAOAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed