SCHEMBL3352705

SCHEMBL3352705

CN(C)[C@H]1CC[C@@H](n2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
HTR7 P34969 1/20 0.41
SLC6A4 P31645 1/20 0.39
CDC7 O00311 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 2/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3353152 1.00 IRAK4 (0.44) IRAK4HTR7SLC6A4CDC7ALDH1A1
SCHEMBL3357611 0.83 CDC7 (0.43) HTR7CDC7ALDH1A1MAPTCYP1A2
SCHEMBL3353526 0.83 CDC7 (0.43) HTR7CDC7ALDH1A1MAPTCYP1A2
SCHEMBL3352455 0.82 HTR7 (0.45) HTR7CDC7MAPTCYP1A2
SCHEMBL3353280 0.82 HTR7 (0.53) HTR7SLC6A4CDC7MAPTHRH3
SCHEMBL3352450 0.82 HTR7 (0.45) HTR7CDC7MAPTCYP1A2
SCHEMBL3359093 0.81 ALDH1A1 (0.41) HTR7CDC7ALDH1A1MAPTSIRT2
SCHEMBL3353782 0.81 ALDH1A1 (0.42) HTR7SLC6A4CDC7ALDH1A1CYP1A2
SCHEMBL3357415 0.79 HTR7 (0.42) HTR7SLC6A4CDC7ALDH1A1MAPT
SCHEMBL3358021 0.79 HTR7 (0.47) HTR7SLC6A4CDC7ALDH1A1MAPT

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