SCHEMBL21345227

SCHEMBL21345227

Cc1cn([C@H]2C[C@H](O)[C@@](F)(CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.54
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
POLB P06746 1/20 0.48
ADRA1A P35348 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL21346000 0.88 TK1 (0.48) TK1
SCHEMBL25180810 0.88 TK1 (0.51) TK1LMNAALBBLM
SCHEMBL25180333 0.88 TK1 (0.51) TK1LMNAALBBLM
SCHEMBL25180809 0.88 TK1 (0.51) TK1LMNAALBBLM
SCHEMBL21345749 0.87 LMNA (0.57) TK1LMNAADRA1A
SCHEMBL21345968 0.86 TK1 (0.44) TK1LMNAADRA1A
SCHEMBL3437019 0.85 TK1 (0.56) TK1ALDH1A1LMNAALBPOLB
SCHEMBL4420063 0.85 TK1 (0.56) TK1ALB
SCHEMBL31653059 0.85 TK1 (0.56) TK1ALDH1A1LMNAALBPOLB
SCHEMBL3437022 0.85 TK1 (0.56) 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
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO disclosed