SCHEMBL7674763

SCHEMBL7674763

Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cc2cn(C(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 3/20 0.56
▸ LTB4R Q15722 1/20 0.56
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47

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
SCHEMBL7679479 0.89 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL7676318 0.87 PLA2G4A (0.55) PLA2G4ALTB4R
SCHEMBL7674800 0.85 PLA2G4A (0.55) PLA2G4ALTB4R
SCHEMBL7676175 0.82 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL8119691 0.78 PLA2G4A (0.83) PLA2G4A
SCHEMBL8422991 0.77 HDAC1 (0.46) PLA2G4A
SCHEMBL22769033 0.76 EPHX2 (0.50) —
SCHEMBL7679762 0.76 PLA2G4A (0.71) PLA2G4ALTB4R
SCHEMBL7682643 0.74 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL7682333 0.72 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 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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