Sugi Predict

Sugi Predict / Compounds / SCHEMBL6749461

SCHEMBL6749461

SCHEMBL6749461

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2ccc(F)c(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 14/20 0.47
▸ ALOX5AP P20292 13/20 0.47
▸ GLO1 Q04760 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 2/20 0.39

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
SCHEMBL6745215 0.89 FEN1 (0.45) FEN1ALOX5APPTGS2PTGS1
SCHEMBL6747322 0.89 PTGS2 (0.50) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6746267 0.89 FEN1 (0.44) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6746716 0.89 PTGS2 (0.43) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6749919 0.89 PTGS2 (0.47) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6749997 0.88 FEN1 (0.43) FEN1ALOX5APCA1CA2
SCHEMBL6750040 0.87 PTGS2 (0.46) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6728769 0.87 FEN1 (0.46) FEN1ALOX5APGLO1CA1CA2
SCHEMBL6743644 0.87 NPC1 (0.44) FEN1ALOX5APGLO1CA1CA2
SCHEMBL6742739 0.87 PTGS2 (0.50) FEN1ALOX5APPTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US disclosed