SCHEMBL11244716

SCHEMBL11244716

Nc1nc2c(ncn2COCCO)c(=S)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.73
BLM P54132 2/20 0.73
HBB P68871 2/20 0.73
USP2 O75604 1/20 0.73
TSHR P16473 1/20 0.73
EDNRA P25101 1/20 0.73
HTR2A P28223 1/20 0.73
RECQL P46063 1/20 0.73
HSD17B10 Q99714 1/20 0.73
HPRT1 P00492 3/20 0.56
POLG P54098 1/20 0.51
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
SCHEMBL11247000 0.87 PNP (0.58) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL3175 0.84 PNP (1.00) PNPBLMHBBUSP2TSHR
SCHEMBL24941753 0.84 PNP (0.73) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL3664893 0.84 PNP (1.00) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL2269160 0.84 PNP (1.00) PNPBLMHBBUSP2TSHR
SCHEMBL10405265 0.84 PNP (0.53) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL16061083 0.83 PNP (0.97) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL16060281 0.83 PNP (0.97) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL6239258 0.83 PNP (0.97) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL19031784 0.83 PNP (0.97) PNPBLMHBBUSP2TSHR

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
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed