SCHEMBL5415436

SCHEMBL5415436

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ACHE P22303 5/20 0.57
NT5E P21589 1/20 0.46
ADORA3 P0DMS8 5/20 0.46
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
HSP90B1 P14625 1/20 0.40
HINT1 P49773 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL19837869 1.00 LMNA (0.60) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19843971 0.94 LMNA (0.57) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL14264203 0.90 LMNA (0.73) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4450353 0.90 LMNA (0.73) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19837842 0.88 LMNA (0.59) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4213566 0.88 LMNA (0.59) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL5415430 0.88 LMNA (0.59) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL19837867 0.88 LMNA (0.59) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL14559273 0.86 LMNA (0.68) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL18179096 0.86 LMNA (0.68) LMNATP53ALDH1A1MAPTTDP1

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-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US disclosed