SCHEMBL8974374

SCHEMBL8974374

Cc1ccc(C2=CCC=C2c2ccc(S(C)(=O)=O)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 8/20 0.36
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CXCR5 P32302 1/20 0.35
APLNR P35414 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
GFER P55789 1/20 0.35
PTGS1 P23219 2/20 0.34
RORC P51449 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
POLQ O75417 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
SCHEMBL8973871 0.88 RORC (0.41) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8974603 0.87 FAAH (0.41) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8974182 0.87 PTGS2 (0.41) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8974334 0.87 CA1 (0.44) PTGS2KMT2AHSP90AA1CXCR5APLNR
SCHEMBL8974709 0.83 PTGS2 (0.42) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL8974335 0.83 PTGS2 (0.42) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL17754086 0.82 PIK3CD (0.49) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9117193 0.81 PTGS2 (0.49) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9118447 0.79 PTGS2 (0.44) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9118885 0.79 PTGS2 (0.44) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG

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