SCHEMBL8628944

SCHEMBL8628944

CS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 4/20 0.57

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
SCHEMBL7777498 0.93 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7779573 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7780074 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL216154 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7777584 0.88 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL7773183 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7779266 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7779916 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7779420 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7773169 0.82 PTGS2 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed