SCHEMBL3348558

SCHEMBL3348558

C=Cc1c(C)n(C2CCN(C)CC2)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ACHE P22303 1/20 0.39
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
HIF1A Q16665 1/20 0.36
PKM P14618 1/20 0.35
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 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
SCHEMBL3356653 0.90 LMNA (0.42) MAPTACHECYP1A2LMNASIRT2
SCHEMBL13537606 0.80 MEN1 (0.32) CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL3349648 0.77 ACHE (0.41) MAPTACHECYP1A2LMNASIRT2
SCHEMBL3355907 0.76 ACHE (0.39) MAPTACHESIRT6HIF1APKM
SCHEMBL3352228 0.74 HTR7 (0.44) MAPTACHESIRT2SIRT6HIF1A
SCHEMBL3355435 0.70 ALDH1A1 (0.42) MAPTACHELMNASIRT6HIF1A
SCHEMBL3357241 0.70 ACHE (0.41) MAPTACHELMNASIRT6HIF1A
SCHEMBL3354484 0.70 ALDH1A1 (0.41) MAPTACHELMNASIRT6HIF1A
SCHEMBL3352685 0.69 MAPT (0.47) MAPTACHELMNASIRT6HIF1A
SCHEMBL13537330 0.69 ALDH1A1 (0.33) CYP1A2LMNAALDH1A1CYP3A4CYP2C19

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