SCHEMBL1819904

SCHEMBL1819904

O=c1c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2[nH]n1Cc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
PGR P06401 9/20 0.47
PKM P14618 1/20 0.44
HTR6 P50406 4/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
PTGER3 P43115 3/20 0.42
KIT P10721 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1804773 0.89 MEN1 (0.46) BRD4PKMHTR6HTR2AHTR2C
SCHEMBL1804100 0.85 PTGES2 (0.44) BRD4PGRHTR6LMNA
SCHEMBL3917126 0.85 BRD4 (0.49) BRD4PGRPKMHTR6HTR1A
SCHEMBL5609434 0.83 CDK1 (0.39) BRD4PGRPKMHTR6LMNA
SCHEMBL5608553 0.83 PKM (0.40) BRD4PKMHTR6LMNAMAPT
SCHEMBL1802901 0.83 BRD4 (0.41) BRD4PKMHTR6HTR1AHTR1D
SCHEMBL1806802 0.81 LMNA (0.39) BRD4PKMHTR6LMNAMAPT
SCHEMBL5608726 0.80 BRD4 (0.53) BRD4PGRPKMHTR6HTR1A
SCHEMBL5610031 0.80 BRD4 (0.54) BRD4PGRHTR6
SCHEMBL5609197 0.80 PFKFB3 (0.40) PKMHTR6PTGER3LMNAMAPT

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 5 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
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed