SCHEMBL8284676

SCHEMBL8284676

CC(=O)OC[C@@H]1CC(OC(C)=O)[C@H](n2cnc3c(Cl)nc(I)nc32)O1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ACHE P22303 4/20 0.43
▸ ADORA3 P0DMS8 6/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ NT5E P21589 2/20 0.36

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
SCHEMBL7054416 0.85 ALDH1A1 (0.52) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8284664 0.84 LMNA (0.55) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1120600 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL14442101 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1120598 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3427721 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL12402078 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1120601 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL6321567 0.82 LMNA (0.82) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13476162 0.82 LMNA (0.82) 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
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 — — WO disclosed
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