SCHEMBL9764826

SCHEMBL9764826

O=C(NO)N(O)CC(c1coc2ccccc12)c1coc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
HSD17B2 P37059 1/20 0.39
ADORA2B P29275 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 9/20 0.37
PSMB8 P28062 2/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL9764845 0.83 MAOB (0.42) MAOBHSD17B2ADORA2BKMT2APSMB5
SCHEMBL9764925 0.83 ALOX5 (0.45) MAOBHSD17B2ADORA2BKMT2APSMB5
SCHEMBL9764899 0.80 MAOB (0.42) MAOBHSD17B2ADORA2BKMT2APSMB5
SCHEMBL10593685 0.75 MAOB (0.41) MAOBHSD17B2ADORA2BKMT2A
SCHEMBL9764875 0.74 ALOX5 (0.48) HSD17B2CMA1
SCHEMBL10561811 0.72 ALOX5 (0.43) MAOBHSD17B2ADORA2BKMT2APSMB5
SCHEMBL9764881 0.69 MAOB (0.43) MAOBKMT2APSMB5PSMB8CMA1
SCHEMBL9764924 0.68 ALOX5 (0.43) MAOBHSD17B2KMT2APSMB5
SCHEMBL4474107 0.67 MAOB (0.50) MAOBHSD17B2ADORA2BKMT2APSMB5
SCHEMBL10560471 0.67 MAOB (0.37) MAOBADORA2BPSMB5PSMB8

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 3 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