SCHEMBL8705454

SCHEMBL8705454

CCCn1c(N)c(NC(=O)C23CC4CC2CC(C3)C4O)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL8709118 1.00 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8705458 1.00 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8705477 0.88 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8709010 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8711495 0.87 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8711497 0.87 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8707133 0.79 PDE4A (0.38) MEN1KMT2AALDH1A1GAA
SCHEMBL8705344 0.79 PDE4A (0.38) MEN1KMT2AALDH1A1GAA
SCHEMBL8709379 0.78 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL4105083 0.74 ADORA1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT

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-0619316-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP disclosed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 EP disclosed