SCHEMBL5372465

SCHEMBL5372465

Nc1nc2c(ncn2OP(N)(=O)On2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.51
HPRT1 P00492 9/20 0.50
XDH P47989 5/20 0.50
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
EDNRA P25101 1/20 0.49
HTR2A P28223 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
HBB P68871 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TK1 P04183 1/20 0.48

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
SCHEMBL28840727 0.87 XDH (0.50) PNPHPRT1XDHUSP2TSHR
SCHEMBL663747 0.87 HPRT1 (0.55) PNPHPRT1USP2TSHREDNRA
SCHEMBL27947874 0.86 HPRT1 (0.54) PNPHPRT1
Ammonia Solution, Strong SCHEMBL27860602 0.85 HPRT1 (0.53) PNPHPRT1
SCHEMBL28286406 0.84 PNP (0.36) PNPHPRT1XDHUSP2TSHR
SCHEMBL27758688 0.84 HPRT1 (0.52) PNPHPRT1
SCHEMBL15948931 0.83 HPRT1 (0.51) PNPHPRT1XDHUSP2TSHR
SCHEMBL22434502 0.83 HPRT1 (0.51) PNPHPRT1XDH
SCHEMBL22434709 0.83 XDH (0.49) PNPHPRT1XDHUSP2TSHR
SCHEMBL101894 0.83 PNP (0.61) PNPHPRT1

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-7217523-B2 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-05-15 US claimed
US-20060014193-A1 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-19 US claimed
US-7217523-B2 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-05-15 US disclosed
US-20060014193-A1 Nucleoside phosphoramidates and nucleoside phosphoramidases REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-19 US disclosed