SCHEMBL7124525

SCHEMBL7124525

O=CNc1cn([C@@H]2C=C[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
ALB P02768 1/20 0.63
POLB P06746 1/20 0.63
ADRA1A P35348 1/20 0.63
TK2 O00142 2/20 0.39
PYGM P11217 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TK1 P04183 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 3/20 0.35
TYMP P19971 1/20 0.35

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
SCHEMBL7123550 0.79 LMNA (0.39) BLMALDH1A1LMNAALBPOLB
SCHEMBL28334419 0.78 PYGM (0.63) TK2PYGM
SCHEMBL5075702 0.78 LMNA (0.43) BLMALDH1A1LMNAALBPOLB
SCHEMBL30976629 0.78 BLM (0.67) BLMALDH1A1LMNAALBPOLB
Stavudine SCHEMBL6439535 0.78 ALDH1A1 (1.00) BLMALDH1A1LMNAALBPOLB
Stavudine SCHEMBL9999805 0.78 ALDH1A1 (1.00) BLMALDH1A1LMNAALBPOLB
SCHEMBL7114159 0.78 LMNA (0.71) BLMALDH1A1LMNAALBPOLB
Stavudine SCHEMBL8540086 0.78 ALDH1A1 (1.00) BLMALDH1A1LMNAALBPOLB
Stavudine SCHEMBL18474938 0.78 ALDH1A1 (1.00) BLMALDH1A1LMNAALBPOLB
Stavudine SCHEMBL38661 0.78 ALDH1A1 (1.00) BLMALDH1A1LMNAALBPOLB

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
EP-1361227-A2 [5-carboxamide or 5-fluoro]-[2', 3'-unsaturated or 3'-modifield]-pyrimidine nucleosides Emory University (US) 2003-11-12 EP claimed