SCHEMBL9764925

SCHEMBL9764925

NC(=O)N(O)CC(c1coc2ccccc12)c1coc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.45
MAOB P27338 4/20 0.42
HSD17B2 P37059 1/20 0.38
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.37
PSMB5 P28074 3/20 0.36
PSMB8 P28062 2/20 0.36
CMA1 P23946 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PTGS1 P23219 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

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
SCHEMBL10561811 0.86 ALOX5 (0.43) ALOX5MAOBHSD17B2KMT2AADORA2B
SCHEMBL9764845 0.85 MAOB (0.42) MAOBHSD17B2KMT2AADORA2BPSMB5
SCHEMBL9764826 0.83 MAOB (0.40) MAOBHSD17B2KMT2AADORA2BPSMB5
SCHEMBL9764899 0.82 MAOB (0.42) MAOBHSD17B2KMT2AADORA2BPSMB5
SCHEMBL9764889 0.81 ALOX5 (0.41) ALOX5MAOB
SCHEMBL9764924 0.78 ALOX5 (0.43) ALOX5MAOBHSD17B2KMT2APSMB5
SCHEMBL10593685 0.78 MAOB (0.41) MAOBHSD17B2KMT2AADORA2B
SCHEMBL9764828 0.75 MAOB (0.40) MAOBPSMB5MAPT
SCHEMBL5763478 0.74 MAOB (0.49) MAOBHSD17B2KMT2AADORA2BPSMB5
SCHEMBL27724947 0.74 MAOB (0.45) MAOBADORA2BPSMB5PSMB8KDM4E

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