SCHEMBL8973871

SCHEMBL8973871

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
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
PTGS2 P35354 7/20 0.37
CHRNA7 P36544 1/20 0.36
PTGS1 P23219 2/20 0.35
FAAH O00519 1/20 0.35
CTSK P43235 1/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8974374 0.88 PIK3CD (0.39) RORCPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL8974603 0.87 FAAH (0.41) RORCPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL8974182 0.87 PTGS2 (0.41) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8973795 0.85 CA1 (0.45) PTGS2UCHL1USP30
SCHEMBL8974709 0.83 PTGS2 (0.42) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8974335 0.83 PTGS2 (0.42) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL5700356 0.82 RORC (0.53) RORCPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL9119719 0.81 PTGS2 (0.49) RORCPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL9119117 0.79 PTGS2 (0.44) RORCPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL9118009 0.79 PTGS2 (0.44) RORCPIK3CDPIP5K1CPIK3CBPI4KA

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
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