SCHEMBL9764905

SCHEMBL9764905

CC(c1ccc2c(c1)oc1ccccc12)N(O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.56
BCHE P06276 4/20 0.52
ACHE P22303 4/20 0.52
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9764900 0.99 ALOX5 (0.55) ALOX5BCHEACHEMEN1NPC1
SCHEMBL10608085 0.99 ALOX5 (0.55) ALOX5BCHEACHEMEN1NPC1
SCHEMBL9764877 0.92 ALOX5 (0.56) ALOX5
SCHEMBL9764910 0.89 BCHE (0.52) BCHEACHEMEN1NPC1GAA
Ammonia Solution, Strong SCHEMBL10609854 0.88 BCHE (0.51) BCHEACHEMEN1NPC1GAA
Ammonia Solution, Strong SCHEMBL9764871 0.88 BCHE (0.51) BCHEACHEMEN1NPC1GAA
Tetrabuthylammonium SCHEMBL9764880 0.88 NPC1 (0.44) ALOX5BCHEACHEMEN1NPC1
SCHEMBL10558778 0.85 ALOX5 (0.50) ALOX5BCHEACHE
SCHEMBL9764862 0.85 BCHE (0.49) ALOX5BCHEACHEMEN1NPC1
SCHEMBL10560306 0.85 NPC1 (0.49) BCHEACHEMEN1NPC1GAA

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