SCHEMBL28095386

SCHEMBL28095386

Nc1nc2c(ncn2Br)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.57
PNP P00491 4/20 0.54
TK1 P04183 2/20 0.54
BLM P54132 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
VCP P55072 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL41787 0.84 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL986800 0.82 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.81 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL27667185 0.81 XDH (0.63) XDHPNPTK1BLMUSP2
SCHEMBL10835122 0.79 XDH (0.61) XDHPNPTK1BLMUSP2
SCHEMBL8886034 0.79 XDH (0.58) XDHPNPTK1BLMUSP2
SCHEMBL2983847 0.79 XDH (0.57) XDHPNPTK1BLMUSP2
SCHEMBL22533906 0.79 XDH (0.57) XDHPNPTK1BLMUSP2
9-Methylguanine SCHEMBL22884 0.79 XDH (0.58) XDHPNPTK1BLMUSP2
SCHEMBL2051364 0.79 XDH (0.57) XDHPNPTK1BLMUSP2

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
CN-103237805-B The block synthesis of oligoribonucleotide 皇家学习促进学会/麦吉尔大学 2016-10-19 CN disclosed