SCHEMBL8705477

SCHEMBL8705477

CCCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 2/20 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
SCHEMBL8705458 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8705454 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8709118 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8709010 0.88 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL4105083 0.85 ADORA1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8709379 0.85 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8711497 0.84 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8711495 0.84 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL7279899 0.83 ADORA1 (0.44) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL7279799 0.81 CNR2 (0.40) KDM4EMEN1KMT2AALDH1A1ADORA3

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-0619316-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP disclosed
EP-0711772-A1 PROCESS FOR PRODUCING XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-05-15 EP disclosed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 EP disclosed