SCHEMBL5664254

SCHEMBL5664254

Cc1cn([C@@H]2O[C@H]3[C@@H](OCc4ccccc4)[C@@H]2OC[C@H]3OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.46
TYMP P19971 4/20 0.43
HPGD P15428 1/20 0.41
RNASE1 P07998 1/20 0.41
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
POLB P06746 1/20 0.38
ADRA1A P35348 1/20 0.38
BLM P54132 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
SCHEMBL13376983 0.81 TK2 (0.44) TK1TYMPALDH1A1LMNAALB
SCHEMBL7699861 0.77 TK1 (0.45) TK1TYMPRNASE1BCHE
SCHEMBL6551210 0.74 HSP90AA1 (0.40) BCHEALDH1A1LMNA
SCHEMBL6551205 0.74 HSP90AA1 (0.40) BCHEALDH1A1LMNA
SCHEMBL6323252 0.73 RNASE1 (0.59) TK1RNASE1
SCHEMBL31355237 0.73 RNASE1 (0.72) TK1RNASE1
SCHEMBL8374922 0.73 RNASE1 (0.59) TK1RNASE1
SCHEMBL9324697 0.73 RNASE1 (0.58) TK1RNASE1
SCHEMBL23784803 0.72 TK1 (0.44) TK1TYMPHPGDRNASE1ALDH1A1
SCHEMBL1408672 0.72 TK1 (0.44) TK1TYMPHPGDRNASE1ALDH1A1

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-7084125-B2 Xylo-LNA analogues EXIQON A/S (DK) 2006-08-01 US disclosed