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Sugi Predict / Compounds / SCHEMBL17066720

SCHEMBL17066720

SCHEMBL17066720

CCCCCC(=O)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc2cn(C3CC(OCN)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)[nH]c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ POLA1 P09884 1/20 0.37
▸ POLD1 P28340 1/20 0.37
▸ P2RY2 P41231 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ TK1 P04183 1/20 0.30

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
SCHEMBL15728355 0.97 POLB (0.37) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL15799931 0.94 POLB (0.39) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL15799880 0.92 POLB (0.38) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL27102628 0.90 POLB (0.39) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL17636634 0.89 POLB (0.37) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL13891877 0.88 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL17227503 0.88 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL24548655 0.87 GIGYF2 (0.38) —
SCHEMBL17762992 0.87 POLB (0.39) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL18269460 0.86 TK1 (0.33) POLBPOLA1POLD1TK1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127314-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2015-09-08 — — US disclosed
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