SCHEMBL14188189

SCHEMBL14188189

CC(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ P2RY6 Q15077 8/20 0.36
▸ P2RY2 P41231 10/20 0.36
▸ P2RY4 P51582 4/20 0.36
▸ SLC28A1 O00337 1/20 0.35
▸ SLC28A2 O43868 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ SLC28A3 Q9HAS3 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL14215483 1.00 TDP1 (0.39) TDP1P2RY6P2RY2P2RY4SLC28A1
SCHEMBL13523532 0.90 POLB (0.39) TDP1P2RY6P2RY2P2RY4
SCHEMBL13671118 0.90 POLB (0.39) TDP1P2RY6P2RY2P2RY4
SCHEMBL13523800 0.90 POLB (0.39) TDP1P2RY6P2RY2P2RY4
SCHEMBL15345855 0.86 P2RY6 (0.36) P2RY6P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL13592886 0.84 POLB (0.41) P2RY6P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL15281799 0.84 POLB (0.41) P2RY6P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL15345857 0.84 P2RY6 (0.34) P2RY6P2RY2P2RY4
SCHEMBL14188220 0.83 LMNA (0.36) P2RY2SLC29A1LMNATHRB
SCHEMBL15345861 0.81 P2RY6 (0.36) P2RY6P2RY2P2RY4SLC28A1SLC28A2

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-7378402-B2 4-Amino-1-((2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one; hepatitis C virus. ROCHE PALO ALTO LLC (US) 2008-05-27 — — US disclosed
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