SCHEMBL3354060

SCHEMBL3354060

COCCn1cc(C(=O)O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
CDK2 P24941 5/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3357593 0.91 CNR1 (0.47) CNR2CNR1CDK2ALDH1A1MAPT
SCHEMBL3354160 0.84 ALDH1A1 (0.50) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL3354062 0.84 KMT2A (0.41) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL3352886 0.81 MAPT (0.42) CNR2ALDH1A1MAPTKMT2A
SCHEMBL3352477 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1
SCHEMBL2846714 0.79 CDK2 (0.56) CDK2ALDH1A1MAPTKMT2AMEN1
SCHEMBL11524512 0.79 HTT (0.44) CNR2CDK2ALDH1A1MAPTKMT2A
SCHEMBL14406114 0.78 SERPINE1 (0.53) CNR2CNR1CDK2ALDH1A1MAPT
SCHEMBL13537299 0.78 CNR2 (0.52) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL3352610 0.78 F2RL3 (0.39) ALDH1A1MAPTKMT2A

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