SCHEMBL8566479

SCHEMBL8566479

CSc1cccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.56
PTGS1 P23219 5/20 0.56
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL8560259 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8564918 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8564646 0.84 PTGS2 (0.58) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8564319 0.82 PTGS2 (0.59) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8568965 0.82 PTGS2 (0.56) PTGS2PTGS1NR1H2NR1H3
SCHEMBL213843 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8562195 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8563504 0.81 PTGS2 (0.54) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8566547 0.79 AKT1 (0.55) PTGS2PTGS1NR1H2NR1H3
SCHEMBL8600540 0.78 PTGS2 (0.60) PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819127-A1 IMIDAZO [1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-01-21 EP disclosed
WO-1996031509-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-10-10 WO disclosed