SCHEMBL6746459

SCHEMBL6746459

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2cc(F)cc(F)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
FEN1 P39748 8/20 0.40
ALOX5AP P20292 6/20 0.40
CTSL P07711 1/20 0.39
PTPRC P08575 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
PAX8 Q06710 1/20 0.38
RIN1 Q13671 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.35
CA9 Q16790 1/20 0.35
KAT7 O95251 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL6747071 0.90 FEN1 (0.44) CA1CA2FEN1ALOX5APMAPK1
SCHEMBL6749919 0.90 PTGS2 (0.47) CA1CA2FEN1ALOX5APCA9
SCHEMBL6750040 0.88 PTGS2 (0.46) CA1CA2FEN1ALOX5APCTSL
SCHEMBL6746111 0.88 CA1 (0.39) CA1CA2FEN1ALOX5APCTSL
SCHEMBL6744782 0.88 CA1 (0.39) CA1CA2FEN1ALOX5APKAT6A
SCHEMBL6744898 0.88 CA1 (0.41) CA1CA2FEN1ALOX5AP
SCHEMBL6749461 0.86 FEN1 (0.47) CA1CA2FEN1ALOX5AP
SCHEMBL6745215 0.85 FEN1 (0.45) FEN1ALOX5AP
SCHEMBL6747342 0.85 PTGS2 (0.46) CA1CA2FEN1ALOX5APGAA
SCHEMBL6749867 0.85 PTGS2 (0.49) CA1CA2FEN1ALOX5AP

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