SCHEMBL6585566

SCHEMBL6585566

COc1cc(C=CC=C2OC(=O)NC2=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CISD1 Q9NZ45 1/20 0.42
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
APP P05067 5/20 0.38
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHEK1 O14757 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6585571 0.89 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6960790 0.85 MEN1 (0.58) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6581248 0.84 KMT2A (0.39) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL8188195 0.84 MEN1 (0.55) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6960793 0.83 HPGD (0.56) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6965864 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6965868 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL8186829 0.81 MEN1 (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6972867 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL8337333 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTKCNH2

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed