SCHEMBL5608922

SCHEMBL5608922

O=C1[N]Nc2cc(Cc3ccccc3)c([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 1/20 0.40
SNCA P37840 2/20 0.38
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
CTSB P07858 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL5608587 0.88 SNCA (0.39) SNCACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5608967 0.88 SNCA (0.39) SNCAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5608745 0.83 SNCA (0.40) MAOAMAOBSNCACYP3A4ALDH1A1
SCHEMBL5608228 0.79 PNP (0.36) MAOBCYP3A4ALDH1A1HPGD
SCHEMBL5608905 0.79 ALDH1A1 (0.46) MAOAMAOBHSD17B10CYP1A2CYP3A4
SCHEMBL5608461 0.76 GABRA1 (0.34) MAOAMAOBSNCAALDH1A1L3MBTL1
SCHEMBL5608778 0.76 ALOX15 (0.41) MAOAMAOBSNCAHSD17B10CYP1A2
SCHEMBL5608736 0.72 TSHR (0.40) CYP3A4ALDH1A1MAPK1
SCHEMBL40607 0.67 ALDH1A1 (0.60) HSD17B10ALDH1A1ARNPC1RAB9A
SCHEMBL5248985 0.67 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19ALDH1A1TP53

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