SCHEMBL755233

SCHEMBL755233

Cc1c(Cl)ccnc1N1C(=O)C(C)(C)Oc2cc(NS(C)(=O)=O)cc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.47
SCN9A Q15858 1/20 0.33
BRD4 O60885 3/20 0.33
EPHB4 P54760 3/20 0.33
CYP17A1 P05093 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
BRAF P15056 2/20 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
SCHEMBL758490 0.85 NR3C2 (0.58) NR3C2SCN9ABRD4CYP17A1
SCHEMBL755880 0.82 NR3C2 (0.48) NR3C2SCN9ABRD4HAVCR2
SCHEMBL753816 0.82 NR3C2 (0.49) NR3C2SCN9ABRD4
SCHEMBL754323 0.80 NR3C2 (0.49) NR3C2SCN9ABRD4
SCHEMBL755980 0.80 NR3C2 (0.56) NR3C2BRD4MEN1LMNAKMT2A
SCHEMBL754215 0.79 NR3C2 (0.61) NR3C2BRD4
SCHEMBL754108 0.79 NR3C2 (0.51) NR3C2SCN9ABRD4
SCHEMBL755343 0.79 NR3C2 (0.46) NR3C2SCN9ABRD4
SCHEMBL753801 0.79 NR3C2 (0.52) NR3C2SCN9ABRD4HAVCR2
SCHEMBL2344884 0.78 NR3C2 (0.52) NR3C2SCN9ABRD4

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 claimed
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 claimed