SCHEMBL6852874

SCHEMBL6852874

CCc1c(C2=NC(C)(C)CO2)ccc(C2=NC(C)(C)CO2)c1CC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.32
IL2 P60568 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7272559 0.83 KDM4E (0.39) KDM4EHTTATMALDH1A1HRH3
SCHEMBL424180 0.82 KDM4E (0.38) KDM4EHTTATMALDH1A1HRH3
SCHEMBL16508608 0.79 KDM4E (0.51) KDM4EHTTATMALDH1A1HRH3
SCHEMBL8818334 0.79 ATM (0.49) KDM4EHTTATMALDH1A1HRH3
SCHEMBL8855987 0.78 KDM4E (0.58) KDM4EHTTATMALDH1A1HRH3
SCHEMBL7495712 0.78 KDM4E (0.43) KDM4EHTTATMALDH1A1HRH3
SCHEMBL18380643 0.77 KDM4E (0.61) KDM4EHTTATMALDH1A1HRH3
SCHEMBL12897084 0.77 KDM4E (0.42) KDM4EHTTHRH3MAPTLMNA
SCHEMBL668833 0.77 HTT (0.43) KDM4EHTTATMALDH1A1HRH3
SCHEMBL1535946 0.76 KDM4E (0.51) KDM4EHTTATMALDH1A1HRH3

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