SCHEMBL3356653

SCHEMBL3356653

Cc1c(C=O)c2ccc([N+](=O)[O-])cc2n1C1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.36
PKM P14618 1/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3348558 0.90 MAPT (0.39) LMNAMAPTACHESIRT2SIRT6
SCHEMBL13537330 0.79 ALDH1A1 (0.33) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3349648 0.78 ACHE (0.41) LMNAMAPTACHESIRT2SIRT6
SCHEMBL3355435 0.76 ALDH1A1 (0.42) LMNAMAPTACHESIRT6ALDH1A1
SCHEMBL3352228 0.75 HTR7 (0.44) MAPTACHESIRT2SIRT6ALDH1A1
SCHEMBL3357241 0.71 ACHE (0.41) LMNAMAPTACHESIRT6ALDH1A1
SCHEMBL3354484 0.71 ALDH1A1 (0.41) LMNAMAPTACHESIRT6ALDH1A1
SCHEMBL3355907 0.70 ACHE (0.39) MAPTACHESIRT6ALDH1A1HIF1A
SCHEMBL3352685 0.70 MAPT (0.47) LMNAMAPTACHESIRT6ALDH1A1
SCHEMBL13537249 0.70 MAPT (0.68) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1

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