SCHEMBL28088511

SCHEMBL28088511

Nc1nc2c(ncn2Pn2cnc3c(=O)nc[nH]c32)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.44
XDH P47989 7/20 0.44
PNP P00491 4/20 0.44
BLM P54132 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
VCP P55072 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL38407 0.81 XDH (0.47) TK1XDHPNPBLMUSP2
SCHEMBL986800 0.69 XDH (0.60) TK1XDHPNPBLMUSP2
SCHEMBL41787 0.68 XDH (0.59) TK1XDHPNPBLMUSP2
SCHEMBL27667185 0.68 XDH (0.63) TK1XDHPNPBLMUSP2
SCHEMBL15005119 0.68 XDH (0.59) TK1XDHPNPBLMUSP2
SCHEMBL1302000 0.67 XDH (0.58) TK1XDHPNPBLMUSP2
SCHEMBL2051364 0.67 XDH (0.57) TK1XDHPNPBLMUSP2
SCHEMBL10835122 0.67 XDH (0.61) TK1XDHPNPBLMUSP2
SCHEMBL22533906 0.67 XDH (0.57) TK1XDHPNPBLMUSP2
SCHEMBL8886034 0.67 XDH (0.58) TK1XDHPNPBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206002-B Prevention or treatment of uric acid or gout disease 上海珊顿医药科技有限公司 2019-07-16 CN disclosed
CN-102667478-B For detecting the neighbouring mediation of oncogenic fusion protein experiment 雀巢产品技术援助有限公司 2018-06-01 CN disclosed
CN-105228640-B PHF20 and JMJD3 compositions and its application method in immunotherapy of tumors 王荣福 2018-01-16 CN disclosed
CN-104704119-B Anti-human Dlk-1 antibody with anti-tumor activity in vivo 凯奥目生物科学株式会社 2017-09-05 CN disclosed
CN-105861553-A Humanized M-CSF mice 再生元制药公司 2016-08-17 CN disclosed