SCHEMBL2460104

SCHEMBL2460104

CC(C)(C)N(CCNc1nc[nH]c1C(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.43
GDA Q9Y2T3 1/20 0.38
PAX8 Q06710 3/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MMP9 P14780 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2457645 0.83 XDH (0.46) XDHGDAPAX8LMNATSHR
SCHEMBL2458365 0.74 XDH (0.47) XDHGDAPAX8LMNATSHR
SCHEMBL562980 0.73 XDH (0.67) XDHGDAPAX8LMNATSHR
SCHEMBL2457649 0.72 XDH (0.48) XDHGDAPAX8LMNATSHR
SCHEMBL1776355 0.71 XDH (0.47) XDHGDAPAX8LMNATSHR
SCHEMBL1776468 0.71 XDH (0.49) XDHGDAPAX8LMNATSHR
SCHEMBL4253369 0.70 XDH (0.51) XDHGDAPAX8LMNATSHR
SCHEMBL1776404 0.69 XDH (0.48) XDHGDAPAX8LMNATSHR
SCHEMBL12017486 0.68 XDH (0.55) XDHGDAPAX8LMNATSHR
SCHEMBL2454476 0.68 XDH (0.46) XDHGDAPAX8LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed