SCHEMBL5608745

SCHEMBL5608745

O=C1[N]Nc2cc(Cc3ccc(F)c(F)c3)c([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.40
ALDH3A1 P30838 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MPO P05164 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 2/20 0.32
HIF1A Q16665 1/20 0.32
CASP6 P55212 1/20 0.31
VCAM1 P19320 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP3A4 P08684 1/20 0.30
ABCC1 P33527 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5608967 0.88 SNCA (0.39) SNCAALDH1A1MAPTDAOATM
SCHEMBL5608587 0.86 SNCA (0.39) SNCAALDH1A1POLBMAPTDAO
SCHEMBL5608922 0.83 MAOA (0.40) SNCAALDH1A1HIF1AMAOAMAOB
SCHEMBL5608778 0.73 ALOX15 (0.41) SNCAALDH1A1HIF1AMAOAMAOB
SCHEMBL5608461 0.73 GABRA1 (0.34) SNCAALDH1A1POLBMAPTCASP6
SCHEMBL5608736 0.69 TSHR (0.40) ALDH1A1VCAM1CYP3A4
SCHEMBL14880650 0.64 ALDH1A1 (0.60) SNCAALDH3A1ALDH1A1MAPTHIF1A
SCHEMBL5547199 0.63 ALDH1A1 (0.40) SNCAALDH3A1ALDH1A1IDO1TDO2
SCHEMBL5545829 0.63 SNCA (0.40) SNCAALDH3A1ALDH1A1IDO1TDO2
SCHEMBL6820729 0.62 PTPRC (0.50) ALDH1A1POLBMAPTDAOHIF1A

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-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