SCHEMBL3354596

SCHEMBL3354596

Cc1cc2ccc([N+](=O)[O-])cc2n1CC1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
HTR7 P34969 1/20 0.44
SIGMAR1 Q99720 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP1A2 P05177 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL3357957 0.81 HTR7 (0.63) ACHEHTR7SIGMAR1HRH4SIRT6
SCHEMBL3352228 0.79 HTR7 (0.44) ACHEHTR7HRH4SIRT6HIF1A
SCHEMBL3351951 0.79 NOTUM (0.40) NOTUMHRH4ALDH1A1CNR2
SCHEMBL13537342 0.78 NOTUM (0.40) NOTUMCYP1A2ALDH1A1CYP2D6CNR2
SCHEMBL1629608 0.76 CYP1A2 (0.59) ACHEHTR7CYP1A2LMNAALDH1A1
SCHEMBL3354696 0.75 HTR7 (0.58) ACHEHTR7SIGMAR1CYP1A2HRH4
SCHEMBL30860194 0.72 ACHE (0.55) ACHEHTR7HRH4SIRT6LMNA
SCHEMBL20853224 0.72 NOTUM (0.49) NOTUM
SCHEMBL10413622 0.72 MAPT (0.51) ACHEHTR7CYP1A2LMNAALDH1A1
SCHEMBL31735794 0.71 ACHE (0.57) ACHEHTR7

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