SCHEMBL8175624

SCHEMBL8175624

Nc1nc2c(ncn2CCCCCO)c(=O)[nH]1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.97
PNP P00491 11/20 0.74
HPRT1 P00492 4/20 0.74
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.65
EDNRA P25101 1/20 0.65
HTR2A P28223 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
HBB P68871 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL571645 0.99 TK1 (1.00) TK1PNPHPRT1USP2TSHR
SCHEMBL3836263 0.95 TK1 (0.92) TK1PNPHPRT1USP2TSHR
SCHEMBL350397 0.89 TK1 (0.82) TK1PNPHPRT1USP2TSHR
SCHEMBL8536007 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL6272299 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL22571178 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL16056722 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL489056 0.87 TK1 (0.74) TK1PNPHPRT1
SCHEMBL8196749 0.86 TK1 (0.78) TK1PNPHPRT1USP2TSHR
SCHEMBL29286376 0.86 TK1 (0.76) TK1PNPHPRT1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104093830-A Clonal strains of attenuated vaccinia virus and methods of use thereof GENELUX CORP 2014-10-08 CN disclosed
WO-2000006573-A1 ANTIVIRAL ALKYL SUBSTITUTED PURINE DERIVATIVES AND THEIR PREPARATION Kemijski inštitut (SI) 2000-02-10 WO disclosed
US-5646041-A Monoclonal antibody to herpes simplex virus and cell line producing same SANDOZ LTD. (CH) 1997-07-08 US disclosed