SCHEMBL6852545

SCHEMBL6852545

COc1c(C2=NC(C)(C)CO2)ccc(C2=NC(C)(C)CO2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.32
IL2 P60568 1/20 0.32

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
SCHEMBL7280560 0.92 KDM4E (0.44) KDM4EHTTALDH1A1LMNAMAPT
SCHEMBL6299778 0.84 KDM4E (0.50) KDM4EALDH1A1MAPTHPGD
SCHEMBL9441519 0.84 KDM4E (0.47) KDM4EHTTATMALDH1A1MAPT
Hydrochloric Acid SCHEMBL10561312 0.83 KDM4E (0.46) KDM4EHTTATMALDH1A1MAPT
SCHEMBL7271916 0.82 KDM4E (0.41) KDM4EHTTATMALDH1A1LMNA
SCHEMBL420824 0.82 KDM4E (0.38) KDM4EHTTATMALDH1A1LMNA
SCHEMBL7272559 0.80 KDM4E (0.39) KDM4EHTTATMALDH1A1LMNA
SCHEMBL7281790 0.80 KDM4E (0.39) KDM4EHTTATMALDH1A1LMNA
SCHEMBL9677104 0.80 KDM4E (0.46) KDM4EHTTATMALDH1A1LMNA
SCHEMBL7427164 0.79 KDM4E (0.38) KDM4EHTTATMALDH1A1LMNA

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-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed