SCHEMBL7973439

SCHEMBL7973439

NCc1ccc(OCCOc2ccc(CN)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
NFE2L2 Q16236 1/20 0.67
MAOB P27338 13/20 0.57
ST14 Q9Y5Y6 1/20 0.56
LTA4H P09960 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL7388158 0.92 KEAP1 (0.64) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL7988040 0.92 KEAP1 (0.64) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL23905132 0.90 LTA4H (0.64) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL7983918 0.90 KEAP1 (0.62) KEAP1NFE2L2MAOBST14HRH3
SCHEMBL12990053 0.90 KEAP1 (0.62) KEAP1NFE2L2MAOBST14HRH3
SCHEMBL7986146 0.90 KEAP1 (0.62) KEAP1NFE2L2MAOBST14HRH3
SCHEMBL12408533 0.90 KEAP1 (0.62) KEAP1NFE2L2MAOBST14HRH3
SCHEMBL9809280 0.89 KEAP1 (0.61) KEAP1NFE2L2MAOBST14LTA4H
Hydrochloric Acid SCHEMBL6573053 0.88 LTA4H (0.62) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL4687513 0.88 KEAP1 (0.60) KEAP1NFE2L2MAOBST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed