SCHEMBL8801529

SCHEMBL8801529

CS(=O)(=O)c1ccc(-n2c(-c3cccc(F)c3)cnc2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.55
PTGS1 P23219 4/20 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
SCHEMBL8803743 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8801440 0.86 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8799157 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8801758 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8800872 0.78 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL27607446 0.76 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6289800 0.74 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8817340 0.72 RIPK2 (0.43) PTGS2
SCHEMBL5594124 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8812738 0.70 PTGS2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed