SCHEMBL8560736

SCHEMBL8560736

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.47
PTGS1 P23219 11/20 0.47
L3MBTL1 Q9Y468 1/20 0.38
CYP17A1 P05093 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
RXRA P19793 1/20 0.37
SCN9A Q15858 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
SCHEMBL8561414 0.93 PTGS2 (0.47) PTGS2PTGS1L3MBTL1CYP17A1MAPT
SCHEMBL8559432 0.92 MAPK1 (0.40) L3MBTL1MAPTRXRASCN9A
SCHEMBL8560188 0.89 PTGS2 (0.47) PTGS2PTGS1MAPTRXRASCN9A
SCHEMBL8554948 0.88 PTGS2 (0.42) PTGS2PTGS1ALOX5APFEN1RXRA
SCHEMBL8558565 0.88 PTGS2 (0.44) PTGS2PTGS1MAPTALOX5APFEN1
SCHEMBL8555759 0.87 PTGS2 (0.39) PTGS2PTGS1L3MBTL1MAPTRXRA
SCHEMBL7501679 0.87 PTGS2 (0.55) PTGS2PTGS1MAPT
SCHEMBL8559238 0.86 PTGS2 (0.42) PTGS2PTGS1MAPTALOX5APFEN1
SCHEMBL7505035 0.85 PTGS2 (0.57) PTGS2PTGS1MAPT
SCHEMBL8556976 0.84 SCN9A (0.44) L3MBTL1MAPTRXRASCN9A

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed