Sugi Predict

Sugi Predict / Compounds / SCHEMBL6746267

SCHEMBL6746267

SCHEMBL6746267

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 12/20 0.44
▸ ALOX5AP P20292 10/20 0.44
▸ CA1 P00915 5/20 0.39
▸ CA2 P00918 5/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38

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
SCHEMBL6746111 0.90 CA1 (0.39) FEN1ALOX5APCA1CA2
SCHEMBL6749919 0.90 PTGS2 (0.47) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6749997 0.89 FEN1 (0.43) FEN1ALOX5APCA1CA2
SCHEMBL6749461 0.89 FEN1 (0.47) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6750040 0.89 PTGS2 (0.46) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6746036 0.88 FEN1 (0.40) FEN1ALOX5APCA1CA2
SCHEMBL6749867 0.88 PTGS2 (0.49) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6746716 0.88 PTGS2 (0.43) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6723314 0.88 FEN1 (0.43) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6746256 0.86 ALOX5AP (0.41) FEN1ALOX5APCA1CA2PTGS2

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