SCHEMBL9856524

SCHEMBL9856524

CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TYMS P04818 1/20 0.49
TK1 P04183 3/20 0.45
ABCG2 Q9UNQ0 3/20 0.44
ABCB1 P08183 1/20 0.44
ESR1 P03372 1/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 2/20 0.43
NT5E P21589 1/20 0.42
P2RY6 Q15077 1/20 0.42
P2RY14 Q15391 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
SCHEMBL9157298 0.89 TK1 (0.57) TK1ABCG2ABCB1
SCHEMBL9011675 0.89 TK1 (0.57) TK1ABCG2ABCB1
SCHEMBL9156285 0.89 TK1 (0.57) TK1ABCG2ABCB1
SCHEMBL4277164 0.89 LMNA (0.70) LMNASMN1; SMN2TYMSTK1
SCHEMBL4277166 0.89 LMNA (0.70) LMNASMN1; SMN2TYMSTK1
SCHEMBL9083560 0.88 TK2 (0.50) TK1
SCHEMBL9331077 0.88 TK1 (0.56) LMNASMN1; SMN2TK1ABCG2ABCB1
SCHEMBL9331081 0.88 TK1 (0.56) LMNASMN1; SMN2TK1ABCG2ABCB1
SCHEMBL8329362 0.87 LMNA (0.55) LMNASMN1; SMN2TYMSTK1ABCG2
SCHEMBL570200 0.87 LMNA (0.55) LMNASMN1; SMN2TYMSTK1ABCG2

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-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed