SCHEMBL13537299

SCHEMBL13537299

COCCn1cc(C(=O)O)c2ccc(NO)cc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
CNR1 P21554 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN7 P35236 1/20 0.43
CPT1A P50416 1/20 0.42
HRH2 P25021 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL13537206 0.90 CNR2 (0.52) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL13537301 0.83 ALDH1A1 (0.52) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL13537209 0.81 CNR2 (0.41) CNR2CNR1NPSR1
SCHEMBL13537208 0.80 POLB (0.46) CNR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6042188 0.79 CNR2 (0.70) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL3354060 0.78 CNR2 (0.47) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL2050027 0.77 CNR2 (0.67) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL1275593 0.76 ALDH1A1 (0.46) CNR2CNR1ALDH1A1MAPTMEN1
SCHEMBL2081693 0.76 PRPS1 (0.58) CNR2CNR1MAPTTSHRL3MBTL1
SCHEMBL2817707 0.74 ALDH1A1 (0.50) CNR2CNR1ALDH1A1MAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed