SCHEMBL5608461

SCHEMBL5608461

C=CCc1cc2c(cc1[N+](=O)[O-])C(=O)[N]N2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 2/20 0.30
POLB P06746 2/20 0.30
GFER P55789 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SNCA P37840 1/20 0.30
HCAR3 P49019 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
SCHEMBL5608778 0.78 ALOX15 (0.41) MAOAMAOBALDH1A1SNCA
SCHEMBL5608922 0.76 MAOA (0.40) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL5608967 0.74 SNCA (0.39) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL5608587 0.74 SNCA (0.39) ALDH1A1POLBTDP1MEN1MAPT
SCHEMBL5608736 0.74 TSHR (0.40) ALDH1A1
SCHEMBL5608745 0.73 SNCA (0.40) MAOAMAOBALDH1A1POLBTDP1
SCHEMBL7645214 0.69 GABRA1 (0.41) GABRA1GABRB2ALDH1A1POLBTDP1
SCHEMBL9280592 0.67 HCAR3 (0.38) GABRA1GABRB2ALDH1A1POLBTDP1
SCHEMBL9282606 0.67 TSHR (0.42) GABRA1GABRB2ALDH1A1TDP1SNCA
SCHEMBL9001711 0.67 SNCA (0.53) GABRA1GABRB2ALDH1A1POLBTDP1

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