SCHEMBL3357354

SCHEMBL3357354

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CDK2 P24941 3/20 0.45
▸ MAPT P10636 5/20 0.42
▸ AR P10275 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TSPO P30536 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3352674 0.86 CDK2 (0.44) KMT2AMEN1CDK2MAPTALDH1A1
SCHEMBL7508094 0.81 CDK2 (0.46) KMT2AMEN1CDK2MAPTLMNA
SCHEMBL6488744 0.79 MAPT (0.49) CDK2MAPTLMNA
SCHEMBL5327849 0.79 CDK2 (0.56) KMT2AMEN1CDK2MAPTALDH1A1
SCHEMBL8188575 0.76 CDK2 (0.36) KMT2AMEN1CDK2MAPTLMNA
SCHEMBL3358211 0.76 MAPT (0.47) KMT2AMEN1CDK2MAPTAR
SCHEMBL29263665 0.76 NR4A2 (0.59) KMT2AMEN1CDK2MAPTLMNA
SCHEMBL27709706 0.76 CDK2 (0.46) KMT2AMEN1CDK2MAPTLMNA
SCHEMBL3351542 0.75 ALDH1A1 (0.46) KMT2AMEN1CDK2MAPTAR
SCHEMBL3353911 0.75 ALDH1A1 (0.45) KMT2AMEN1CDK2MAPTLMNA

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
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