SCHEMBL7674800

SCHEMBL7674800

O=C(NS(=O)(=O)C(F)(F)F)c1ccc(Cc2cn(C(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 16/20 0.55
▸ LTB4R Q15722 5/20 0.55
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ VCP P55072 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
SCHEMBL7682643 0.87 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL7676063 0.86 PLA2G4A (0.53) PLA2G4ALTB4RVCP
SCHEMBL7674763 0.85 PLA2G4A (0.56) PLA2G4ALTB4R
SCHEMBL7676175 0.84 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL7692159 0.78 PLA2G4A (0.64) PLA2G4ATDP1MAPT
SCHEMBL7679479 0.75 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL7676051 0.73 PLA2G4A (0.73) PLA2G4ALTB4R
SCHEMBL8119369 0.72 PLA2G4A (0.65) PLA2G4ALTB4R
SCHEMBL7679847 0.71 PLA2G4A (0.78) PLA2G4ALTB4R
SCHEMBL7682333 0.71 PLA2G4A (1.00) PLA2G4ALTB4R

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-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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