SCHEMBL9119692

SCHEMBL9119692

Cc1csc(C2=CC3(C=C2c2ccc(S(C)(=O)=O)nc2)CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
GRIN2B Q13224 8/20 0.34
ALOX5AP P20292 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CTSK P43235 1/20 0.33
SLC6A7 Q99884 1/20 0.33
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
POLQ O75417 1/20 0.31
RORC P51449 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL9117981 0.98 PIK3CD (0.36) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9237640 0.95 PTGS1 (0.40) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9240663 0.88 GRIN2B (0.34) PTGS1PTGS2GRIN2BSLC6A7HDAC3
SCHEMBL9118447 0.85 PTGS2 (0.44) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9118488 0.84 PTGS2 (0.53) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL9118885 0.82 PTGS2 (0.44) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9117616 0.81 PTGS2 (0.53) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL9119117 0.80 PTGS2 (0.44) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9117193 0.80 PTGS2 (0.49) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL9115540 0.79 GHSR (0.37) PTGS1PTGS2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed