SCHEMBL8627979

SCHEMBL8627979

COc1ccc(-c2cn(CC#N)nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
PTGS1 P23219 3/20 0.51
KDM1A O60341 10/20 0.47
FEN1 P39748 3/20 0.42
ALOX5AP P20292 2/20 0.42
F10 P00742 2/20 0.41
BRD4 O60885 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 0.88 PTGS2 (0.55) PTGS2PTGS1KDM1AFEN1ALOX5AP
SCHEMBL8635023 0.87 FEN1 (0.44) FEN1ALOX5APF10
SCHEMBL7772812 0.87 PTGS2 (0.56) PTGS2PTGS1KDM1A
SCHEMBL8630451 0.86 PTGS2 (0.52) PTGS2PTGS1KDM1AFEN1ALOX5AP
SCHEMBL8632643 0.85 PTGS2 (0.53) PTGS2PTGS1KDM1AFEN1ALOX5AP
SCHEMBL8633944 0.84 F10 (0.48) F10
SCHEMBL8634386 0.84 PTGS2 (0.50) PTGS2PTGS1KDM1AFEN1ALOX5AP
SCHEMBL8635059 0.83 PTGS2 (0.58) PTGS2PTGS1FEN1ALOX5APF10
SCHEMBL8631613 0.83 PTGS2 (0.43) PTGS2PTGS1FEN1ALOX5APF10
SCHEMBL8629941 0.83 PTGS2 (0.46) PTGS2PTGS1FEN1ALOX5APF10

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