SCHEMBL13891877

CNCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc2cn([C@H]3CC(OCN=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(C)(=O)O)O3)c(=O)[nH]c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.35

▸	POLA1	P09884	1/20	0.35

▸	POLD1	P28340	1/20	0.35

▸	TK1	P04183	1/20	0.32

▸	P2RY2	P41231	1/20	0.31

▸	P2RY6	Q15077	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL17227503	1.00	POLB (0.35)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL20821470	0.94	POLB (0.34)	POLBPOLA1POLD1TK1
SCHEMBL19569904	0.94	POLB (0.34)	POLBPOLA1POLD1TK1
SCHEMBL15799880	0.93	POLB (0.38)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL27102628	0.93	POLB (0.39)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL15728355	0.91	POLB (0.37)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL17636634	0.91	POLB (0.37)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL15799931	0.90	POLB (0.39)	POLBPOLA1POLD1TK1P2RY2
SCHEMBL13891854	0.90	POLB (0.34)	POLBPOLA1POLD1
SCHEMBL17227477	0.90	CA2 (0.33)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2009051807-A1	DESIGN AND SYNTHESIS OF CLEAVABLE FLUORESCENT NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS	THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US)	2009-04-23	—	—	WO	disclosed