SCHEMBL2008089

SCHEMBL2008089

COc1ncc(F)cc1-c1ccc(C(C)NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.79
PGR P06401 6/20 0.75
PIK3C3 Q8NEB9 2/20 0.38
SGK1 O00141 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 1/20 0.37
PTGS2 P35354 2/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL2008086 0.90 NR3C1 (0.78) NR3C1PGRPIK3C3SGK1ALOX5AP
SCHEMBL2008107 0.86 NR3C1 (1.00) NR3C1PGRSGK1CNR1
SCHEMBL2002007 0.80 NR3C1 (0.82) NR3C1PGRPIK3C3SGK1
SCHEMBL2006541 0.79 NR3C1 (0.62) NR3C1PGRPIK3C3SGK1S1PR1
SCHEMBL2007353 0.79 NR3C1 (0.85) NR3C1PGRPIK3C3SGK1ALOX5AP
SCHEMBL2009788 0.76 NR3C1 (0.58) NR3C1PGRPIK3C3SGK1S1PR1
SCHEMBL2007374 0.75 NR3C1 (0.79) NR3C1PGRPIK3C3SGK1ALOX5AP
SCHEMBL2006930 0.73 NR3C1 (0.78) NR3C1PGRS1PR1
SCHEMBL27780295 0.72 NR3C1 (0.54) NR3C1PGRPIK3C3SGK1
SCHEMBL27758653 0.68 NR3C1 (0.49) NR3C1PGRPIK3C3SGK1PTGS2

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
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed