SCHEMBL8917212

SCHEMBL8917212

CS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4cc(C(=O)O)ccc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
RARG P13631 6/20 0.42
RARA P10276 5/20 0.42
RARB P10826 5/20 0.42
RXRA P19793 5/20 0.42
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALOX5 P09917 1/20 0.37
AOC3 Q16853 1/20 0.36

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
SCHEMBL8918143 0.89 PTGS2 (0.54) PTGS2KMT2AALOX5
SCHEMBL8917535 0.89 LCK (0.40) PTGS2RARGKDM4EALDH1A1AOC3
SCHEMBL8917466 0.86 PTGS2 (0.41) PTGS2ALOX5AOC3
SCHEMBL8917301 0.85 PTGS2 (0.45) PTGS2ALOX5
SCHEMBL8916673 0.84 PTGS2 (0.44) PTGS2ALOX5AOC3
SCHEMBL8917700 0.84 CYP1A2 (0.47) PTGS2RARGRARARARBRXRA
SCHEMBL8916712 0.84 PTGS2 (0.41) PTGS2ALOX5
SCHEMBL8919630 0.84 PTGS2 (0.44) PTGS2
SCHEMBL8917475 0.83 PTGS2 (0.46) PTGS2ALOX5
SCHEMBL8919075 0.83 PTGS2 (0.40) PTGS2ALOX5

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-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed