SCHEMBL7676063

SCHEMBL7676063

O=C(NS(=O)(=O)C(F)(F)F)c1ccc(Cc2cn(C(c3ccccc3)c3ccccc3)c3ccc(Br)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 15/20 0.53
▸ LTB4R Q15722 5/20 0.53
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGFR P43088 1/20 0.40
▸ KRAS P01116 1/20 0.39
▸ VCP P55072 1/20 0.39
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 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
SCHEMBL7674800 0.86 PLA2G4A (0.55) PLA2G4ALTB4RVCP
SCHEMBL7676051 0.86 PLA2G4A (0.73) PLA2G4ALTB4R
SCHEMBL7676318 0.84 PLA2G4A (0.55) PLA2G4ALTB4R
SCHEMBL7680433 0.83 PLA2G4A (0.70) PLA2G4ALTB4RKRAS
SCHEMBL7692159 0.80 PLA2G4A (0.64) PLA2G4A
SCHEMBL8119369 0.75 PLA2G4A (0.65) PLA2G4ALTB4R
SCHEMBL7679847 0.74 PLA2G4A (0.78) PLA2G4ALTB4R
SCHEMBL7676073 0.73 PLA2G4A (0.65) PLA2G4ALTB4R
SCHEMBL7682643 0.73 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL7679762 0.73 PLA2G4A (0.71) 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 4 patents. 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 claimed
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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