SCHEMBL8478741

SCHEMBL8478741

COc1ccc(-c2noc(OC(F)(F)F)c2NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39
MAP2K4 P45985 1/20 0.39
HTR6 P50406 1/20 0.39
SCN9A Q15858 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
KIT P10721 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
ACLY P53396 1/20 0.37
STAT3 P40763 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37

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
SCHEMBL8478641 0.91 PTGS2 (0.44) PTGS2PTGS1SLC40A1MAP2K4HTR6
SCHEMBL6169842 0.85 PTGS2 (0.47) PTGS2PTGS1SLC40A1HTR6KIT
SCHEMBL8478256 0.83 PTGS2 (0.42) PTGS2PTGS1SLC40A1HTR6SCN9A
SCHEMBL8477499 0.82 PTGS2 (0.42) PTGS2PTGS1SLC40A1HTR6SCN9A
SCHEMBL8474166 0.82 PTGS2 (0.42) PTGS2PTGS1SLC40A1HTR6SCN9A
SCHEMBL8473864 0.82 PTGS1 (0.42) PTGS2PTGS1MAPTSLC40A1HTR6
SCHEMBL8478783 0.81 PTGS2 (0.42) PTGS2PTGS1MAPTSLC40A1HTR6
SCHEMBL8480051 0.80 PTGS1 (0.45) PTGS2PTGS1TP53MAPTSLC40A1
SCHEMBL8475048 0.80 PTGS2 (0.41) PTGS2PTGS1MAPTSLC40A1HTR6
SCHEMBL8476512 0.79 PTGS1 (0.40) PTGS2PTGS1MAPTSLC40A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed