SCHEMBL8776738

SCHEMBL8776738

CCCCCOc1nc(-c2ccc(F)cc2)c(-c2ccccc2S(C)(=O)=O)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
PTGS1 P23219 2/20 0.50
CNR1 P21554 9/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.40
SQOR Q9Y6N5 2/20 0.40
MAPT P10636 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
SCHEMBL8086370 0.86 PTGS2 (0.68) PTGS2PTGS1CNR1
SCHEMBL8087151 0.85 PTGS2 (0.67) PTGS2PTGS1CNR1
SCHEMBL8093419 0.83 PTGS2 (0.72) PTGS2PTGS1CNR1
SCHEMBL8776822 0.81 PTGS2 (0.56) PTGS2PTGS1CNR1MEN1KMT2A
SCHEMBL8095632 0.81 PTGS2 (0.56) PTGS2PTGS1CNR1
SCHEMBL8092530 0.80 PTGS2 (0.55) PTGS2PTGS1CNR1MEN1KMT2A
SCHEMBL8776913 0.80 ALOX5 (0.47) PTGS2PTGS1ALOX5
SCHEMBL8092731 0.80 PTGS2 (0.64) PTGS2PTGS1CNR1
SCHEMBL8094547 0.78 PTGS2 (0.60) PTGS2PTGS1CNR1MEN1KMT2A
SCHEMBL8095114 0.77 PTGS2 (0.58) PTGS2PTGS1CNR1

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
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed