SCHEMBL6746036

SCHEMBL6746036

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2cccc(Br)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.40
ALOX5AP P20292 6/20 0.40
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
PTGES2 Q9H7Z7 2/20 0.36
MAOB P27338 1/20 0.36
MAPK1 P28482 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 0.91 CA1 (0.39) FEN1ALOX5APCA1CA2MAPK1
SCHEMBL6747071 0.88 FEN1 (0.44) FEN1ALOX5APCA1CA2PTGES2
SCHEMBL6746267 0.88 FEN1 (0.44) FEN1ALOX5APCA1CA2
SCHEMBL6749997 0.87 FEN1 (0.43) FEN1ALOX5APCA1CA2
SCHEMBL6750040 0.87 PTGS2 (0.46) FEN1ALOX5APCA1CA2PTGES2
SCHEMBL6744800 0.86 FEN1 (0.40) FEN1ALOX5APCA1CA2PTGES2
SCHEMBL6730177 0.86 FEN1 (0.42) FEN1ALOX5APCA1CA2PTGES2
SCHEMBL6743644 0.86 NPC1 (0.44) FEN1ALOX5APCA1CA2
SCHEMBL6749461 0.84 FEN1 (0.47) FEN1ALOX5APCA1CA2
SCHEMBL6746256 0.84 ALOX5AP (0.41) FEN1ALOX5APCA1CA2

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