SCHEMBL8689482

SCHEMBL8689482

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.67
PTGS1 P23219 8/20 0.67
F10 P00742 5/20 0.48
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDPK1 O15530 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
SCHEMBL8637646 0.91 PTGS2 (0.56) PTGS2PTGS1F10
SCHEMBL8693434 0.86 PTGS2 (0.53) PTGS2PTGS1F10CA12CA1
SCHEMBL8691651 0.85 PTGS2 (0.49) PTGS2PTGS1F10CA12CA1
SCHEMBL8689175 0.83 F10 (0.49) PTGS2PTGS1F10
SCHEMBL8689128 0.83 PTGS2 (0.47) PTGS2PTGS1F10CA12CA1
SCHEMBL8688474 0.83 PTGS2 (0.47) PTGS2PTGS1F10CA12CA1
SCHEMBL8692071 0.83 PTGS2 (0.69) PTGS2PTGS1F10CA12CA1
SCHEMBL8691301 0.83 PTGS2 (0.47) PTGS2PTGS1F10CA12CA1
SCHEMBL8689419 0.83 PTGS2 (0.47) PTGS2PTGS1F10CA12CA1
SCHEMBL8688630 0.83 PTGS2 (0.55) PTGS2PTGS1F10CA12CA1

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