SCHEMBL3358211

SCHEMBL3358211

Cn1cc(C(=O)C(=O)N2CCCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ AR P10275 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ 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
SCHEMBL3351542 0.99 ALDH1A1 (0.46) MAPTPOLBARALDH1A1KMT2A
SCHEMBL3353911 0.92 ALDH1A1 (0.45) MAPTPOLBALDH1A1KMT2AHPGD
SCHEMBL2075770 0.91 POLB (0.47) MAPTPOLBARALDH1A1KMT2A
SCHEMBL3358890 0.90 POLB (0.52) MAPTPOLBALDH1A1ALOX5SMN1; SMN2
SCHEMBL7508094 0.81 CDK2 (0.46) MAPTPOLBKMT2AMEN1NPC1
SCHEMBL5327849 0.79 CDK2 (0.56) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL6488744 0.79 MAPT (0.49) MAPTPOLBNPC1LMNACDK2
SCHEMBL3352674 0.79 CDK2 (0.44) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL2844171 0.78 MAPT (0.59) MAPTPOLBARALDH1A1KMT2A
SCHEMBL13537320 0.78 ALOX5 (0.42) POLBALDH1A1KMT2AHPGDMEN1

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
Send feedback