SCHEMBL8974182

SCHEMBL8974182

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.41
PTGS1 P23219 4/20 0.41
CDK9 P50750 1/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
HTR2A P28223 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8974374 0.87 PIK3CD (0.39) PTGS2PTGS1PIK3CDPIP5K1CPIK3CB
SCHEMBL8973871 0.87 RORC (0.41) PTGS2PTGS1PIK3CDPIP5K1CPIK3CB
SCHEMBL8973749 0.85 CA1 (0.44) PTGS2PTGS1HTR2AKCNH2
SCHEMBL8974603 0.85 FAAH (0.41) PTGS2PTGS1PIK3CDPIP5K1CPIK3CB
SCHEMBL8974709 0.85 PTGS2 (0.42) PTGS2PIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL9117872 0.84 HTR2A (0.45) PTGS2PTGS1CDK9PIK3CDPIP5K1C
SCHEMBL9117440 0.82 PTGS2 (0.66) PTGS2PTGS1CDK9PIK3CDPIP5K1C
SCHEMBL8974335 0.82 PTGS2 (0.42) PTGS2PIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL8973732 0.81 PTGS2 (0.40) PTGS2PTGS1CDK9PIK3CDPIP5K1C
SCHEMBL8974381 0.81 PTGS2 (0.47) PTGS2PTGS1CDK9PIK3CDPIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed