SCHEMBL8629311

SCHEMBL8629311

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(C)c2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.49
PTGS2 P35354 4/20 0.44
F2 P00734 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL8629981 0.89 POLB (0.42) F10PTGS2F2PTGS1
SCHEMBL8628007 0.88 PTGS2 (0.40) F10PTGS2F2PTGS1
SCHEMBL8631518 0.88 PTGS2 (0.50) F10PTGS2PTGS1
SCHEMBL8632452 0.87 PTGS2 (0.40) F10PTGS2F2PTGS1
SCHEMBL8634613 0.87 PTGS2 (0.55) F10PTGS2F2PTGS1
SCHEMBL8632198 0.85 PTGS2 (0.41) F10PTGS2F2PTGS1
SCHEMBL8634387 0.85 PTGS2 (0.46) F10PTGS2PTGS1
SCHEMBL8629546 0.85 PTGS2 (0.49) F10PTGS2F2PTGS1
SCHEMBL8635118 0.85 F10 (0.46) F10PTGS2F2PTGS1
SCHEMBL8631947 0.85 F10 (0.46) F10PTGS2F2PTGS1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed