SCHEMBL3352685

SCHEMBL3352685

Cc1cn(C2CCN(C)CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ACHE P22303 2/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.42
SIRT6 Q8N6T7 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL3353132 0.85 MAPT (0.44) MAPTPTGDR2LMNAALDH1A1TSHR
SCHEMBL3352848 0.80 MAPT (0.51) MAPTPTGDR2LMNAALDH1A1
SCHEMBL3357241 0.80 ACHE (0.41) MAPTACHESIRT6APPBCHE
SCHEMBL3354484 0.80 ALDH1A1 (0.41) MAPTACHESIRT6LMNAHIF1A
SCHEMBL25766155 0.79 PTGDR2 (0.55) PTGDR2SCN5ASCN9A
SCHEMBL3358219 0.79 HTR1D (0.43) MAPTPTGDR2ALDH1A1TDP1SCN5A
SCHEMBL31434242 0.79 PTGDR2 (0.55) PTGDR2SCN5ASCN9A
SCHEMBL3349054 0.78 PTGDR2 (0.44) MAPTACHEPTGDR2LMNAALDH1A1
SCHEMBL3355435 0.78 ALDH1A1 (0.42) MAPTACHESIRT6APPBCHE
SCHEMBL3354240 0.78 HTR7 (0.45) MAPTACHESIRT6HIF1AALDH1A1

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