SCHEMBL5608587

SCHEMBL5608587

O=C1[N]Nc2cc(Cc3ccc(Cl)cc3)c([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.33
PSD A5PKW4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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) SNCANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5608922 0.88 MAOA (0.40) SNCACYP1A2CYP2C19HPGDCYP3A4
SCHEMBL5608745 0.86 SNCA (0.40) SNCACYP3A4MAPTPOLBTDP1
SCHEMBL5608564 0.80 MPO (0.39) NPC1LMNARAB9AMAPTMEN1
SCHEMBL5608736 0.76 TSHR (0.40) CYP3A4LMNATSHRMAPK1ALDH1A1
SCHEMBL5608461 0.74 GABRA1 (0.34) SNCAL3MBTL1MAPTMEN1KMT2A
SCHEMBL5608778 0.74 ALOX15 (0.41) SNCACYP1A2CYP2C19CYP3A4MAPK1
SCHEMBL5608905 0.69 ALDH1A1 (0.46) CYP1A2CYP2C19HPGDCYP3A4NPC1
SCHEMBL2657113 0.68 SNCA (0.43) SNCACYP1A2CYP2C19HPGDCYP3A4
SCHEMBL5618439 0.67 MAPT (0.40) HPGDCYP3A4LMNAMAPTDAO

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