SCHEMBL6749997

SCHEMBL6749997

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.43
ALOX5AP P20292 11/20 0.43
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CTSL P07711 1/20 0.36
PTPRC P08575 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 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
SCHEMBL6746256 0.90 ALOX5AP (0.41) FEN1ALOX5APCA1CA2
SCHEMBL6746038 0.90 ALOX5AP (0.41) FEN1ALOX5APCA1CA2
SCHEMBL6746267 0.89 FEN1 (0.44) FEN1ALOX5APCA1CA2
SCHEMBL6749461 0.88 FEN1 (0.47) FEN1ALOX5APCA1CA2
SCHEMBL6746036 0.87 FEN1 (0.40) FEN1ALOX5APCA1CA2
SCHEMBL6723337 0.87 FEN1 (0.44) FEN1ALOX5APCA1CA2
SCHEMBL6746111 0.87 CA1 (0.39) FEN1ALOX5APCA1CA2CTSL
SCHEMBL6749919 0.86 PTGS2 (0.47) FEN1ALOX5APCA1CA2
SCHEMBL6750040 0.85 PTGS2 (0.46) FEN1ALOX5APCA1CA2CTSL
SCHEMBL6747322 0.85 PTGS2 (0.50) 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