SCHEMBL6285023

SCHEMBL6285023

Nc1nc(=O)n([C@H]2O[C@@H](COC(=O)c3ccccc3)C[C@H]2O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DCK P27707 7/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALB P02768 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PPM1B O75688 1/20 0.39
▸ NT5E P21589 2/20 0.38
▸ POLG P54098 1/20 0.38

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
SCHEMBL598983 0.82 ABL1 (0.47) DCKALDH1A1HTTALBBACE1
SCHEMBL5717548 0.82 TYMS (0.46) ALDH1A1HTTNPC1PPM1BNT5E
SCHEMBL4130043 0.82 TYMS (0.46) ALDH1A1HTTNPC1PPM1BNT5E
SCHEMBL13871560 0.82 TYMS (0.46) ALDH1A1HTTNPC1PPM1BNT5E
SCHEMBL19657159 0.80 ALB (0.55) DCKALDH1A1HTTALBPOLG
SCHEMBL5717526 0.80 ALB (0.55) DCKALDH1A1HTTALBPOLG
SCHEMBL2580898 0.80 ALB (0.55) DCKALDH1A1HTTALBPOLG
SCHEMBL2580896 0.80 ALB (0.55) DCKALDH1A1HTTALBPOLG
SCHEMBL11598911 0.79 MEN1 (0.55) DCKALDH1A1HTTALB
SCHEMBL23750658 0.78 P2RY6 (0.45) ALDH1A1HTTNPC1PPM1BNT5E

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-6896900-B2 β-L-2'-deoxy-nucleosides for the treatment of HIV infection EMORY UNIVERSITY (US) 2005-05-24 — — US disclosed
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