SCHEMBL3352674

SCHEMBL3352674

CN(C)C(=O)C(=O)c1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.44
▸ MAPT P10636 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 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
SCHEMBL3357354 0.86 KMT2A (0.47) CDK2MAPTMEN1KMT2AALDH1A1
SCHEMBL7508094 0.84 CDK2 (0.46) CDK2MAPTL3MBTL1NPC1MEN1
SCHEMBL6488744 0.82 MAPT (0.49) CDK2MAPTNPC1MCL1POLB
SCHEMBL5327849 0.82 CDK2 (0.56) CDK2MAPTL3MBTL1MEN1KMT2A
SCHEMBL3358211 0.79 MAPT (0.47) CDK2MAPTNPC1MEN1KMT2A
SCHEMBL29263665 0.79 NR4A2 (0.59) CDK2MAPTNPC1MEN1KMT2A
SCHEMBL27709706 0.79 CDK2 (0.46) CDK2MAPTNPC1MEN1KMT2A
SCHEMBL3351542 0.78 ALDH1A1 (0.46) CDK2MAPTNPC1MEN1KMT2A
SCHEMBL3353911 0.78 ALDH1A1 (0.45) CDK2MAPTL3MBTL1NPC1MEN1
SCHEMBL28265756 0.78 MAPT (0.46) CDK2MAPTNPC1MCL1

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 2 patents. 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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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