SCHEMBL8745678

SCHEMBL8745678

Cc1cn([C@@H]2O[C@@H]3COC3C2O)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.52
DHFR P00374 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALB P02768 1/20 0.50
POLB P06746 1/20 0.50
ADRA1A P35348 1/20 0.50
BLM P54132 1/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
PMP22 Q01453 1/20 0.47
HBB P68871 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TYMP P19971 2/20 0.47

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 1.00 TK1 (0.52) TK1DHFRLMNAALDH1A1ALB
SCHEMBL9218555 0.86 ALDH1A1 (0.49) TK1DHFRLMNAALDH1A1ALB
SCHEMBL5982146 0.86 ALDH1A1 (0.49) TK1DHFRLMNAALDH1A1ALB
SCHEMBL25701920 0.84 TK1 (0.55) TK1DHFRLMNAALDH1A1ALB
SCHEMBL2770232 0.83 TK1 (0.49) TK1DHFRLMNAALDH1A1ALB
SCHEMBL17826624 0.83 DHFR (0.53) TK1DHFRLMNAALDH1A1ALB
SCHEMBL14429108 0.83 ALDH1A1 (0.47) TK1DHFRLMNAALDH1A1ALB
SCHEMBL14568793 0.83 ALDH1A1 (0.47) TK1DHFRLMNAALDH1A1ALB
SCHEMBL17826619 0.82 DHFR (0.49) TK1DHFRLMNAALDH1A1ALB
SCHEMBL14115636 0.82 TK1 (0.48) TK1DHFRLMNAALDH1A1ALB

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-0653435-B1 Process for large scale preparation of 2',3'-didehydro-2',3'-dideonucleosides BRISTOL MYERS SQUIBB CO (US) 1997-02-05 EP claimed
EP-0464642-A1 Pyrimidine derivatives, their preparation and use as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed