SCHEMBL13619242

SCHEMBL13619242

Nc1nc2c(ncn2COP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.79
HPRT1 P00492 8/20 0.72
POLG P54098 1/20 0.72
BLM P54132 2/20 0.69
USP2 O75604 1/20 0.69
TSHR P16473 1/20 0.69
EDNRA P25101 1/20 0.69
HTR2A P28223 1/20 0.69
RECQL P46063 1/20 0.69
HBB P68871 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP3A4 P08684 1/20 0.66
NFKB1 P19838 1/20 0.66
VCP P55072 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL11308931 0.91 PNP (0.88) PNPHPRT1POLGBLMUSP2
SCHEMBL11313321 0.90 PNP (0.86) PNPHPRT1POLGBLMUSP2
Ammonia Solution, Strong SCHEMBL11310327 0.90 PNP (0.86) PNPHPRT1POLGBLMUSP2
SCHEMBL11327665 0.90 PNP (0.86) PNPHPRT1POLGBLMUSP2
SCHEMBL8050648 0.87 PNP (0.65) PNPHPRT1POLGBLMUSP2
SCHEMBL13707332 0.86 BLM (0.78) PNPHPRT1POLGBLMUSP2
SCHEMBL24940649 0.86 PNP (0.80) PNPHPRT1POLGPOLB
Acyclovir Diphosphate SCHEMBL9472121 0.85 PNP (1.00) PNPHPRT1POLGBLMUSP2
Acyclovir SCHEMBL145606 0.85 PNP (0.91) PNPHPRT1POLGBLMUSP2
Acyclovir SCHEMBL543440 0.85 PNP (0.91) PNPHPRT1POLGBLMUSP2

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-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed