SCHEMBL3358890

SCHEMBL3358890

Cn1cc(C(=O)C(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PHGDH O43175 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SLC6A9 P48067 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44

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 0.90 MAPT (0.47) POLBSMN1; SMN2ALOX5ALDH1A1MAPT
SCHEMBL3351542 0.89 ALDH1A1 (0.46) POLBSMN1; SMN2ALOX5ALDH1A1MAPT
SCHEMBL3353911 0.89 ALDH1A1 (0.45) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL2075770 0.83 POLB (0.47) POLBSMN1; SMN2ALOX5ALDH1A1MAPT
SCHEMBL13537324 0.80 ALOX5 (0.46) POLBSMN1; SMN2ALOX5KDM4EUSP2
SCHEMBL1558335 0.80 ALDH1A1 (0.60) POLBSMN1; SMN2ALOX5KDM4EALDH1A1
SCHEMBL7508094 0.78 CDK2 (0.46) POLBL3MBTL1MAPTLMNANPC1
SCHEMBL5327849 0.77 CDK2 (0.56) POLBL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL6488744 0.77 MAPT (0.49) POLBMAPTLMNANPC1
SCHEMBL3352674 0.76 CDK2 (0.44) POLBL3MBTL1ALDH1A1MAPTNPC1

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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