SCHEMBL754538

SCHEMBL754538

CS(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.53
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 2/20 0.41
MTOR P42345 2/20 0.41
NR3C1 P04150 2/20 0.40
SCN9A Q15858 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KEAP1 Q14145 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 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
SCHEMBL756244 0.84 NR3C2 (0.53) NR3C2PIK3CDPIK3R1MTORSCN9A
SCHEMBL756352 0.81 NR3C2 (0.50) NR3C2PIK3CDPIK3R1MTORGAA
SCHEMBL755818 0.80 SCN9A (0.56) NR3C1SCN9A
SCHEMBL753806 0.78 NR3C2 (0.79) NR3C2KEAP1PGR
SCHEMBL754931 0.75 NR3C2 (0.86) NR3C2NR3C1PGRAR
SCHEMBL15712669 0.75 HPGD (0.44) PIK3CDPIK3R1MTORGAAHPGD
SCHEMBL6362106 0.74 HPGD (0.56) GAAHPGD
SCHEMBL23768829 0.73 KDM4E (0.44) HPGD
SCHEMBL23768991 0.73 NPC1 (0.49) GAAHPGD
SCHEMBL31490337 0.73 NPC1 (0.49) GAAHPGD

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
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed