SCHEMBL1804100

SCHEMBL1804100

O=c1c2cc(NS(=O)(=O)c3cccc(Cl)c3Cl)ccc2[nH]n1Cc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 5/20 0.44
BRD4 O60885 2/20 0.42
GHSR Q92847 1/20 0.41
SGK1 O00141 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.40
PGR P06401 1/20 0.39
HTR6 P50406 1/20 0.39
ACLY P53396 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1802901 0.91 BRD4 (0.41) BRD4ALDH1A1LMNAHTR6SLC22A12
SCHEMBL5609434 0.88 CDK1 (0.39) BRD4SGK1ALDH1A1LMNAPGR
SCHEMBL5608553 0.88 PKM (0.40) BRD4SGK1ALDH1A1LMNAHTR6
SCHEMBL1806802 0.85 LMNA (0.39) BRD4ALDH1A1LMNAHTR6MEN1
SCHEMBL3906659 0.85 PTGES2 (0.47) PTGES2BRD4GHSRSGK1ALDH1A1
SCHEMBL1819904 0.85 BRD4 (0.52) BRD4LMNAPGRHTR6
SCHEMBL1804773 0.84 MEN1 (0.46) BRD4ALDH1A1LMNAHTR6MEN1
SCHEMBL5609197 0.81 PFKFB3 (0.40) ALDH1A1LMNAHTR6MEN1THRB
SCHEMBL1809645 0.77 PTGES2 (0.46) PTGES2BRD4GHSRSGK1ALDH1A1
SCHEMBL3905782 0.76 GSPT1 (0.41) PTGES2BRD4ALDH1A1LMNASLC22A12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682207-B2 2011-05-11 JP claimed
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP claimed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO claimed