SCHEMBL8040725

SCHEMBL8040725

CS(=O)(=O)c1ccccc1-c1cc(Br)nc(C(F)(F)F)c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.42
ENPP1 P22413 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 6/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HSD11B1 P28845 2/20 0.37
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
PTGS1 P23219 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
SCHEMBL8040647 0.88 ALOX5 (0.46) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8055416 0.87 ALOX5 (0.43) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL214171 0.82 PTGS2 (0.52) PTGS2KDM4EPTGS1
SCHEMBL8051589 0.82 ALOX5 (0.41) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8040707 0.80 ALOX5 (0.40) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8051562 0.79 PTGS2 (0.43) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8051557 0.79 ALOX5 (0.39) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8053348 0.77 ALOX5 (0.38) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8953784 0.76 ALOX5 (0.47) ALOX5POLBENPP1MEN1KMT2A
SCHEMBL8040643 0.75 PTGS2 (0.52) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808305-B1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-03 EP claimed
EP-0808305-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024585-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed
EP-0808305-B1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-03 EP disclosed
EP-0808305-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5596008-A ANALGESICS, ANTIARTHRITIC G. D. SEARLE & CO. (US) 1997-01-21 US disclosed
WO-1996024585-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed