SCHEMBL8776742

SCHEMBL8776742

CCS(=O)(=O)c1ccc(-c2ccc(Cl)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.54
PTGS1 P23219 6/20 0.46

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
SCHEMBL8087013 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8776749 0.77 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL12570643 0.75 PTGS2 (0.58) PTGS2PTGS1
Fluoresone SCHEMBL24999 0.73 PSIP1 (0.58) PTGS2
SCHEMBL8776720 0.70 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8776825 0.70 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8549766 0.70 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6044693 0.69 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8776940 0.69 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8776708 0.69 PTGS2 (0.63) 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-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed