SCHEMBL6233052

SCHEMBL6233052

COc1ccc(/C=C2\SC(=O)NC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
MCL1 Q07820 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
POLB P06746 1/20 0.74
KMT2A Q03164 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
GFER P55789 1/20 0.74
ESRRA P11474 6/20 0.72
PIM1 P11309 2/20 0.70
PIM3 Q86V86 2/20 0.70
PIM2 Q9P1W9 2/20 0.70
PDE4B Q07343 1/20 0.70
GSK3B P49841 4/20 0.67
HPGD P15428 3/20 0.62
MGAM O43451 1/20 0.62
GAA P10253 1/20 0.62
SI P14410 1/20 0.62

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
SCHEMBL6233053 1.00 MAPT (0.74) MAPTMCL1NPSR1MEN1ALDH1A1
SCHEMBL13499571 0.89 PDE4B (0.72) MAPTMCL1NPSR1MEN1ALDH1A1
SCHEMBL1249965 0.84 IGF1R (0.75) MAPTMCL1NPSR1MEN1ALDH1A1
SCHEMBL1249963 0.84 IGF1R (0.75) MAPTMCL1NPSR1MEN1ALDH1A1
SCHEMBL31521577 0.83 PDE4B (1.00) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL2424658 0.83 PDE4B (1.00) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL2424653 0.83 PDE4B (1.00) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL15421515 0.83 PDE4B (1.00) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL5507653 0.82 ESRRA (1.00) MAPTMCL1NPSR1MEN1ALDH1A1
SCHEMBL8271091 0.82 ESRRA (1.00) MAPTMCL1NPSR1MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed