SCHEMBL8776706

SCHEMBL8776706

CCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(=O)(=O)CC)cc2)cc1CN

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.70
PTGS1 P23219 6/20 0.70
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8098732 0.92 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL8776887 0.91 PTGS2 (0.85) PTGS2PTGS1MEN1KMT2ACNR1
SCHEMBL8776708 0.84 PTGS2 (0.63) PTGS2PTGS1MEN1KMT2ACNR1
SCHEMBL8093078 0.84 PTGS2 (0.83) PTGS2PTGS1MEN1KMT2A
SCHEMBL8093929 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8776857 0.81 PTGS2 (0.70) PTGS2PTGS1CNR1
SCHEMBL8099213 0.81 PTGS2 (0.67) PTGS2PTGS1MEN1KMT2A
SCHEMBL8086783 0.81 PTGS2 (0.67) PTGS2PTGS1MEN1KMT2A
SCHEMBL8095458 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8094071 0.80 PTGS2 (0.80) 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 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