SCHEMBL3352450

SCHEMBL3352450

CN1[C@@H]2CC[C@H]1C[C@@H](n1ccc3ccc([N+](=O)[O-])cc31)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
POLB P06746 1/20 0.44
CDC7 O00311 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 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
SCHEMBL3352455 1.00 HTR7 (0.45) HTR7POLBCDC7NOS3NOS1
SCHEMBL3353280 0.84 HTR7 (0.53) HTR7CDC7NOS3NOS1NOS2
SCHEMBL3357611 0.83 CDC7 (0.43) HTR7POLBCDC7MAPTCYP1A2
SCHEMBL3353526 0.83 CDC7 (0.43) HTR7POLBCDC7MAPTCYP1A2
SCHEMBL3353152 0.82 IRAK4 (0.44) HTR7CDC7MAPTCYP1A2
SCHEMBL3352705 0.82 IRAK4 (0.44) HTR7CDC7MAPTCYP1A2
SCHEMBL3357415 0.81 HTR7 (0.42) HTR7POLBCDC7MAPTCYP1A2
SCHEMBL3354666 0.81 HTR7 (0.46) HTR7CDC7MAPTCYP1A2
SCHEMBL12253684 0.80 HTR7 (0.55) HTR7POLBNOS3NOS1NOS2
SCHEMBL3355938 0.80 HTR7 (0.52) HTR7POLBCDC7NOS3NOS1

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