SCHEMBL8689175

SCHEMBL8689175

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c(CO)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.49
PTGS2 P35354 11/20 0.49
PTGS1 P23219 5/20 0.47
LDHA P00338 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL8688630 0.89 PTGS2 (0.55) F10PTGS2PTGS1
SCHEMBL8688474 0.89 PTGS2 (0.47) F10PTGS2PTGS1
SCHEMBL8689482 0.83 PTGS2 (0.67) F10PTGS2PTGS1
SCHEMBL8693434 0.82 PTGS2 (0.53) F10PTGS2PTGS1
SCHEMBL6351481 0.82 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8691651 0.81 PTGS2 (0.49) F10PTGS2PTGS1
SCHEMBL8693951 0.81 PTGS2 (0.55) F10PTGS2PTGS1
SCHEMBL8689004 0.81 PTGS2 (0.68) F10PTGS2PTGS1
SCHEMBL8638981 0.80 F10 (0.48) F10PTGS2PTGS1
SCHEMBL8689419 0.80 PTGS2 (0.47) F10PTGS2PTGS1

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
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed