SCHEMBL7128636

SCHEMBL7128636

Cc1cn([C@H]2OC3(CO)CO[C@@H]2[C@@H]3O)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.47
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 5/20 0.44
DHFR P00374 1/20 0.42

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
SCHEMBL19814711 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8149970 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL1097570 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL856694 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL858969 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL14946298 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL14853815 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL19258430 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL2767589 1.00 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL5696111 1.00 TK1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670461-B1 Bi-, tri, or polycyclic nucleoside analogues having a \"locked\" structure capable of forming heat resistant nucleobase specific duplexes and triplexes with single and double stranded nucleic acids. EXIQON A/S (DK) 2003-12-30 US disclosed