SCHEMBL8776829

SCHEMBL8776829

CS(=O)(=O)c1ccccc1-c1cnc(OCc2ccccc2)c(C#N)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 7/20 0.42
ADORA1 P30542 2/20 0.40
MAPT P10636 1/20 0.39
PTGS2 P35354 5/20 0.39
PTGS1 P23219 1/20 0.39
ALOX5 P09917 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL8086786 0.67 CNR1 (0.64) PTGS2PTGS1
SCHEMBL7682212 0.67 HPGD (0.55) SQORADORA1MAPTALOX5KDM4E
SCHEMBL8776738 0.66 PTGS2 (0.50) SQORMAPTPTGS2PTGS1ALOX5
SCHEMBL6904881 0.65 PTGS2 (0.68) PTGS2PTGS1ALOX5KDM4EALDH1A1
SCHEMBL845509 0.65 SQOR (0.46) SQORMAPTKDM4EALDH1A1POLB
SCHEMBL7844215 0.64 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7840986 0.64 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL16402615 0.64 SQOR (0.44) SQORKDM4EAR
SCHEMBL845322 0.64 SQOR (0.44) SQORMAPTKDM4EALDH1A1
SCHEMBL845823 0.64 SQOR (0.39) SQORALDH1A1

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