SCHEMBL8922569

SCHEMBL8922569

Nc1nc2c(ncn2C[C@H]2CC[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.57
PNP P00491 7/20 0.56
BLM P54132 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
EDNRA P25101 1/20 0.56
HTR2A P28223 1/20 0.56
RECQL P46063 1/20 0.56
HBB P68871 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
VCP P55072 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HPRT1 P00492 8/20 0.51

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
SCHEMBL8922752 0.84 TK1 (0.52) TK1PNPBLMUSP2TSHR
SCHEMBL9369448 0.83 TK1 (0.59) TK1PNPBLMUSP2TSHR
SCHEMBL10836051 0.83 TK1 (0.59) TK1PNPBLMUSP2TSHR
SCHEMBL18661616 0.83 TK1 (0.52) TK1PNPBLMUSP2TSHR
SCHEMBL20977457 0.83 TK1 (0.52) TK1PNPBLMUSP2TSHR
SCHEMBL8104283 0.83 ALDH1A1 (0.70) TK1PNPALDH1A1LMNAHPRT1
SCHEMBL3162 0.83 ALDH1A1 (0.70) TK1PNPALDH1A1LMNAHPRT1
SCHEMBL13833316 0.83 ALDH1A1 (0.70) TK1PNPALDH1A1LMNAHPRT1
SCHEMBL16695889 0.83 ALDH1A1 (0.70) TK1PNPALDH1A1LMNAHPRT1
SCHEMBL19325461 0.83 ALDH1A1 (0.70) TK1PNPALDH1A1LMNAHPRT1

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
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed