SCHEMBL13628848

SCHEMBL13628848

COOSc1ccc2c(c1)cc(-c1ccc[n+]([O-])c1)n2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
GNRHR P30968 4/20 0.33
PARG Q86W56 2/20 0.33
LMNA P02545 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL13628860 0.89 PTGS2 (0.46) PTGS2GNRHRLMNAGRIK1GRIK2
SCHEMBL13628847 0.82 CYP11B2 (0.43) PTGS2GNRHR
SCHEMBL13628859 0.81 PTGS2 (0.45) PTGS2GNRHR
SCHEMBL2921335 0.80 PTGS2 (0.60) PTGS2GNRHRPARG
SCHEMBL13628832 0.77 TRPC5 (0.38) PTGS2CNR1CNR2
SCHEMBL13628853 0.74 PTGS2 (0.37) PTGS2PARGLMNA
SCHEMBL13628850 0.74 PTGS2 (0.36) PTGS2LMNAGRIN1GRIN2B
SCHEMBL13628824 0.74 RAB9A (0.36) PTGS2
SCHEMBL13628821 0.74 MAPT (0.37) PTGS2PARGLMNA
SCHEMBL13628851 0.74 PTGS2 (0.36) PTGS2GRIN1GRIN2B

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-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed