SCHEMBL3355907

SCHEMBL3355907

C=Cc1cn(C2CCN(C)CC2)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MCL1 Q07820 1/20 0.36
EIF2AK2 P19525 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3355435 0.90 ALDH1A1 (0.42) ACHEPKMMAPTAPPBCHE
SCHEMBL3357241 0.82 ACHE (0.41) ACHEPKMMAPTAPPBCHE
SCHEMBL3354484 0.82 ALDH1A1 (0.41) ACHEPKMMAPTSIRT6HIF1A
SCHEMBL3354823 0.80 LMNA (0.43) ACHEMAPTAPPBCHESIRT6
SCHEMBL3354325 0.80 AVPR1A (0.43) ACHEPKMMAPTHIF1AHTR7
SCHEMBL13537256 0.79 OPRM1 (0.38)
SCHEMBL3358236 0.79 ALDH1A1 (0.47) ACHEHIF1AALDH1A1
SCHEMBL3352685 0.77 MAPT (0.47) ACHEMAPTAPPBCHESIRT6
SCHEMBL3357600 0.77 ACHE (0.42) ACHEPKMHIF1AALDH1A1
SCHEMBL3348558 0.76 MAPT (0.39) ACHEPKMMAPTSIRT6HIF1A

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