SCHEMBL9909423

SCHEMBL9909423

Cc1cn([C@@H]2O[C@H](CO)C(O)C2OC(C)C=O)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.59
TYMP P19971 4/20 0.52
PYGM P11217 3/20 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

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
SCHEMBL774129 0.89 TK2 (0.63) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL773813 0.88 TK2 (0.61) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL8163247 0.87 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL773772 0.87 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL312987 0.87 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL773054 0.87 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL767995 0.86 TK2 (0.59) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL9908677 0.86 TK2 (0.59) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL767907 0.86 TK2 (0.59) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL774127 0.86 TK2 (0.59) TK2TYMPPYGMALDH1A1LMNA

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-20120142101-A1 OLIGONUCLEOTIDE END CAPS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed