SCHEMBL8635102

SCHEMBL8635102

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCN(C)C)c2C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.43
PTGS1 P23219 10/20 0.43
F10 P00742 5/20 0.41
F2 P00734 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL8628051 0.92 PTGS2 (0.41) PTGS2PTGS1F10P2RX3
SCHEMBL8633042 0.89 PTGS2 (0.41) PTGS2PTGS1F10F2
SCHEMBL8631748 0.89 PTGS2 (0.51) PTGS2PTGS1F10F2
SCHEMBL8630948 0.88 PTGS2 (0.46) PTGS2PTGS1F10F2
SCHEMBL8631636 0.87 F10 (0.46) PTGS2PTGS1F10F2
SCHEMBL8630564 0.86 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL7779597 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8629556 0.86 PTGS2 (0.53) PTGS2PTGS1F10F2
SCHEMBL8629546 0.86 PTGS2 (0.49) PTGS2PTGS1F10F2
SCHEMBL8631727 0.86 PTGS2 (0.44) PTGS2PTGS1F10F2

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