SCHEMBL7679479

SCHEMBL7679479

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 3/20 0.72
▸ LTB4R Q15722 1/20 0.72

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
SCHEMBL7674763 0.89 PLA2G4A (0.56) PLA2G4ALTB4R
SCHEMBL7679762 0.88 PLA2G4A (0.71) PLA2G4ALTB4R
SCHEMBL7682643 0.87 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL7682333 0.84 PLA2G4A (1.00) PLA2G4ALTB4R
SCHEMBL7677234 0.82 PLA2G4A (0.83) PLA2G4A
SCHEMBL9586130 0.81 — —
SCHEMBL7678320 0.81 PLA2G4A (1.00) PLA2G4A
SCHEMBL7677114 0.80 PLA2G4A (0.79) PLA2G4ALTB4R
SCHEMBL8530543 0.79 — —
SCHEMBL9733925 0.79 MEN1 (0.54) PLA2G4A

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-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 — — EP claimed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 — — WO claimed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 — — US disclosed
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