SCHEMBL2004253

SCHEMBL2004253

COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.69
PGR P06401 8/20 0.69
CASR P41180 3/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ACLY P53396 1/20 0.39
TP53 P04637 1/20 0.39
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
NMT1 P30419 1/20 0.39

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
SCHEMBL2006930 0.83 NR3C1 (0.78) NR3C1PGRCASR
SCHEMBL2008128 0.81 NR3C1 (0.54) NR3C1PGRACLYNMT1
SCHEMBL2008107 0.77 NR3C1 (1.00) NR3C1PGRCASR
SCHEMBL2005610 0.76 NR3C1 (0.62) NR3C1PGRCASR
SCHEMBL2005613 0.76 NR3C1 (0.62) NR3C1PGRCASR
SCHEMBL2010050 0.75 NR3C1 (0.67) NR3C1PGRCASR
SCHEMBL2002566 0.73 NR3C1 (0.59) NR3C1PGRCASRPSEN1PSEN2
SCHEMBL2006413 0.71 ACLY (0.44) NR3C1PGRACLYFPR2PROKR1
SCHEMBL2004967 0.71 NR3C1 (0.76) NR3C1PGRTP53
SCHEMBL2011430 0.69 NR3C1 (0.78) NR3C1PGR

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