SCHEMBL8630451

SCHEMBL8630451

COc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 8/20 0.52
F10 P00742 2/20 0.42
KDM1A O60341 4/20 0.42
BRD4 O60885 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
SCN9A Q15858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8629007 0.89 PTGS2 (0.55) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL7780849 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8631512 0.87 LMNA (0.46) PTGS2F10ALOX5APFEN1KMT2A
SCHEMBL8635059 0.86 PTGS2 (0.58) PTGS2PTGS1F10BRD4ALOX5AP
SCHEMBL8627979 0.86 PTGS2 (0.51) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8632643 0.86 PTGS2 (0.53) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8634386 0.85 PTGS2 (0.50) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8627595 0.84 F10 (0.48) PTGS2F10SCN9AKMT2A
SCHEMBL7779420 0.83 PTGS2 (0.57) PTGS2PTGS1KDM1A
SCHEMBL8630401 0.83 PTGS2 (0.47) PTGS2PTGS1F10

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