SCHEMBL758490

SCHEMBL758490

Cc1c(Cl)ccnc1N1C(=O)C(C)(C)Oc2cc(NS(C)(=O)=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.58
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CYP17A1 P05093 2/20 0.38
SCN9A Q15858 1/20 0.35
BRD4 O60885 2/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
HASPIN Q8TF76 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL755233 0.85 NR3C2 (0.47) NR3C2CYP17A1SCN9ABRD4
SCHEMBL756101 0.83 NR3C2 (0.61) NR3C2MAPK1GAAHPGDCYP17A1
SCHEMBL755327 0.83 NR3C2 (0.61) NR3C2MAPK1GAAHPGDCYP17A1
SCHEMBL753742 0.82 NR3C2 (0.61) NR3C2MAPK1GAAHPGDBRD4
SCHEMBL756434 0.81 NR3C2 (0.64) NR3C2SCN9ABRD4ADRA1DADRA1A
SCHEMBL754298 0.80 NR3C2 (0.63) NR3C2MAPK1GAAHPGDBRD4
SCHEMBL756423 0.80 NR3C2 (0.63) NR3C2MAPK1GAAHPGDBRD4
SCHEMBL755328 0.79 NR3C2 (0.65) NR3C2MAPK1GAAHPGDSCN9A
SCHEMBL756319 0.79 NR3C2 (0.56) NR3C2GAAHPGDSCN9A
SCHEMBL753962 0.79 NR3C2 (0.59) NR3C2MAPK1GAAHPGDCYP17A1

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