SCHEMBL2770232

SCHEMBL2770232

Cc1cn([C@@H]2O[C@H]3[C@@H](O)[C@@H]2OC[C@H]3O)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
POLB P06746 1/20 0.47
ADRA1A P35348 1/20 0.47
BLM P54132 1/20 0.47
TYMP P19971 4/20 0.47
DHFR P00374 1/20 0.46

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
SCHEMBL8827975 0.83 TK1 (0.52) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8745678 0.83 TK1 (0.52) TK1ALDH1A1LMNAALBPOLB
SCHEMBL13208038 0.83 TK1 (0.51) TK1ALDH1A1LMNAALBPOLB
SCHEMBL2987732 0.83 TK1 (0.51) TK1ALDH1A1LMNAALBPOLB
SCHEMBL14115636 0.79 TK1 (0.48) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8004092 0.74 TK1 (0.48) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8541527 0.74 TK1 (0.63) TK1DHFR
SCHEMBL6909337 0.73 LMNA (0.72) TK1ALDH1A1LMNAALBPOLB
SCHEMBL16774560 0.73 LMNA (0.72) TK1ALDH1A1LMNAALBPOLB
SCHEMBL16774561 0.73 LMNA (0.72) TK1ALDH1A1LMNAALBPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161439-B1 XYLO-LNA ANALOGUES EXIQON AS (DK) 2010-04-21 EP disclosed
US-7084125-B2 Xylo-LNA analogues EXIQON A/S (DK) 2006-08-01 US disclosed