SCHEMBL9517549

SCHEMBL9517549

Nc1nc2c(ncn2C[C@@H](CCO)COCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.62
PNP P00491 6/20 0.58
BLM P54132 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
EDNRA P25101 1/20 0.54
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.54
HBB P68871 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TK1 P04183 1/20 0.50
MEN1 O00255 1/20 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
KMT2A Q03164 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
SCHEMBL31273799 0.92 HPRT1 (0.64) HPRT1PNPBLMUSP2TSHR
SCHEMBL1665922 0.87 PNP (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL1663883 0.87 PNP (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL10496683 0.86 PNP (0.62) HPRT1PNPBLMUSP2TSHR
SCHEMBL10506595 0.84 TK1 (0.65) HPRT1PNPBLMUSP2TSHR
SCHEMBL16491196 0.83 BLM (0.61) HPRT1PNPBLMUSP2TSHR
SCHEMBL16197453 0.83 PNP (0.58) HPRT1PNPBLMUSP2TSHR
SCHEMBL16039082 0.83 PNP (0.58) HPRT1PNPBLMUSP2TSHR
Omaciclovir SCHEMBL417577 0.81 TK1 (0.62) HPRT1PNPBLMUSP2TSHR
Omaciclovir SCHEMBL712427 0.81 TK1 (0.62) HPRT1PNPBLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216141-A OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR LINKAGES BENNER, STEVEN 1993-06-01 US disclosed
EP-0418309-A4 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR 1993-01-07 EP disclosed
EP-0418309-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER, Steven Albert (CH) 1991-03-27 EP disclosed
WO-1989012060-A1 OLIGONUCLEOTIDE ANALOGS CONTAINING SULFUR BENNER STEVEN ALBERT (CH) 1989-12-14 WO disclosed