SCHEMBL3351542

SCHEMBL3351542

Cn1cc(C(=O)C(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ AR P10275 2/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL3358211 0.99 MAPT (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3353911 0.91 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL2075770 0.89 POLB (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3358890 0.89 POLB (0.52) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL7508094 0.80 CDK2 (0.46) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL13537323 0.79 ALOX5 (0.42) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL6488744 0.79 MAPT (0.49) MAPTPOLBNPC1LMNACDK2
SCHEMBL5327849 0.79 CDK2 (0.56) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3352674 0.78 CDK2 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2844171 0.77 MAPT (0.59) ALDH1A1HPGDMEN1KMT2AMAPT

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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