SCHEMBL9764869

SCHEMBL9764869

CNC(=O)N(O)C(C)(c1coc2ccccc12)c1coc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS2 P35354 2/20 0.35
ADORA2B P29275 1/20 0.35
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CA2 P00918 1/20 0.34
PTGES O14684 1/20 0.34
KMT2A Q03164 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
SCHEMBL10560471 0.89 MAOB (0.37) MAOBMAPTNPC1RAB9APTGS2
SCHEMBL9764908 0.86 MAOB (0.39) MAOBMAPTNPC1RAB9AADORA2B
SCHEMBL9764896 0.84 MAOB (0.38) MAOBMAPTNPC1RAB9AADORA2B
SCHEMBL9764914 0.84 MAOB (0.40) MAOBPTGS2ADORA2BPSMB8PSMB5
Ammonia Solution, Strong SCHEMBL9764887 0.83 MAOB (0.39) MAOBMAPTPTGS2ADORA2BPSMB8
SCHEMBL9764903 0.80 MAOB (0.42) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL10609848 0.80 MAOB (0.40) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL9764835 0.75 MAOB (0.41) MAOBMAPTPTGS2CA2PTGES
SCHEMBL665371 0.75 MAOB (0.41) MAOBMAPTPTGS2ADORA2BPSMB8
SCHEMBL9764879 0.74 CA2 (0.39) MAOBMAPTNPC1RAB9APSMB8

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