SCHEMBL3354579

SCHEMBL3354579

CN(C)Cc1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
CDK2 P24941 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
HTR6 P50406 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
F2RL3 Q96RI0 2/20 0.41
F2R P25116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL3354155 0.89 CDK2 (0.47) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL3355292 0.86 HTR6 (0.59) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL9400557 0.85 MAPT (0.51) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL13537347 0.84 HTR6 (0.46) CDK2HTR6F2RL3HTR2AHTR2C
SCHEMBL29540778 0.83 MAPT (0.53) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL10577625 0.80 CDK2 (0.46) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL3351876 0.79 CDK2 (0.48) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL3352978 0.77 CACNB4 (0.56) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL11126322 0.77 MAPT (0.50) MAPTCDK2MEN1KMT2ALMNA
SCHEMBL23525638 0.76 CDK2 (0.53) MAPTCDK2MEN1KMT2ALMNA

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