SCHEMBL6585571

SCHEMBL6585571

COc1cc(C=CC=C2NC(=O)OC2=O)ccc1OCc1csc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CISD1 Q9NZ45 1/20 0.41
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
APP P05067 6/20 0.39
GAA P10253 1/20 0.39
CA2 P00918 2/20 0.38
CA5A P35218 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL6585566 0.89 ALDH1A1 (0.54) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6960793 0.87 HPGD (0.56) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6581254 0.84 ALDH1A1 (0.37) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6960790 0.84 MEN1 (0.58) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6965868 0.83 ALDH1A1 (0.65) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6965864 0.83 ALDH1A1 (0.65) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL6972867 0.79 ALDH1A1 (0.64) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL8337333 0.78 ALDH1A1 (0.65) KDM4EHPGDALDH1A1MAPTKCNH2
SCHEMBL8337336 0.78 ALDH1A1 (0.65) KDM4EHPGDALDH1A1MAPTKCNH2
SCHEMBL6961283 0.75 KDM4E (0.81) KDM4EHPGDALDH1A1MAPTAPP

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed