SCHEMBL756498

SCHEMBL756498

C=Cc1cc(NS(C)(=O)=O)cc2c1N(c1ccc(F)cc1)C(=O)C(C)O2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.65
PDE4B Q07343 1/20 0.33
PTGS2 P35354 2/20 0.33
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NR3C1 P04150 2/20 0.32
PGR P06401 1/20 0.32
MAOA P21397 1/20 0.31
AR P10275 1/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL753401 0.80 NR3C2 (0.66) NR3C2PDE4BPTGS2CACNA1BAPBA1
SCHEMBL753709 0.79 NR3C2 (1.00) NR3C2PTGS2CACNA1BAPBA1NR3C1
SCHEMBL755348 0.68 NR3C2 (0.80) NR3C2PTGS2CACNA1BAPBA1NR3C1
SCHEMBL756833 0.67 NR3C2 (0.77) NR3C2PGR
SCHEMBL755200 0.66 NR3C2 (0.75) NR3C2PTGS2CACNA1BAPBA1NR3C1
SCHEMBL755391 0.65 NR3C2 (0.72) NR3C2PTGS2CACNA1BAPBA1PGR
SCHEMBL754339 0.65 NR3C2 (1.00) NR3C2NR3C1PGRAR
SCHEMBL755900 0.65 NR3C2 (0.71) NR3C2PTGS2CACNA1BAPBA1PGR
SCHEMBL756074 0.64 NR3C2 (0.70) NR3C2PTGS2CACNA1BAPBA1PGR
SCHEMBL757508 0.64 NR3C2 (0.70) NR3C2PTGS2CACNA1BAPBA1PGR

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