SCHEMBL8053348

SCHEMBL8053348

C#CCCOc1cc(-c2ccccc2S(C)(=O)=O)c(-c2ccc(F)cc2)c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
ENPP1 P22413 1/20 0.35
MAPT P10636 1/20 0.34
LTB4R Q15722 1/20 0.33
PTGS2 P35354 5/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL8051557 0.91 ALOX5 (0.39) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8040707 0.89 ALOX5 (0.40) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8051562 0.88 PTGS2 (0.43) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8051589 0.87 ALOX5 (0.41) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8040656 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8055416 0.83 ALOX5 (0.43) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8055349 0.80 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL8040647 0.79 ALOX5 (0.46) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL8040725 0.77 ALOX5 (0.44) ALOX5POLBMEN1KMT2AALOX5AP
SCHEMBL213154 0.76 PTGS2 (0.43) 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