SCHEMBL13628847

SCHEMBL13628847

COOSc1ccc2c(c1)cc(-c1cccnc1)n2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
FYN P06241 2/20 0.40
PTGS2 P35354 1/20 0.40
CYP11B1 P15538 2/20 0.39
ACLY P53396 1/20 0.37
GNRHR P30968 1/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
ELOVL1 Q9BW60 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13628859 0.88 PTGS2 (0.45) PTGS2ACLYGNRHR
SCHEMBL13628846 0.83 POLB (0.41) CYP11B2GNRHRPKMNPSR1
SCHEMBL13628848 0.82 PTGS2 (0.42) PTGS2GNRHR
SCHEMBL2923546 0.79 PTGS2 (0.60) CYP11B2FYNPTGS2CYP11B1ACLY
SCHEMBL13628821 0.78 MAPT (0.37) PTGS2MAPTNPSR1
SCHEMBL13628832 0.78 TRPC5 (0.38) PTGS2MAPT
SCHEMBL13628853 0.77 PTGS2 (0.37) PTGS2MAPTNPSR1
SCHEMBL13628824 0.77 RAB9A (0.36) PTGS2MAPT
SCHEMBL13628850 0.77 PTGS2 (0.36) PTGS2MAPTNPSR1
SCHEMBL13628843 0.75 AGTR1 (0.40) PTGS2

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