SCHEMBL8908562

SCHEMBL8908562

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H](C)CSc4nc5ccccc5s4)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 2/20 0.40
HINT1 P49773 2/20 0.39
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
NT5E P21589 1/20 0.35

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
SCHEMBL9099190 0.93 ALDH1A1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9097511 0.93 ALDH1A1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8908739 0.92 ALDH1A1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8907217 0.92 ALDH1A1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8908328 0.92 ALDH1A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9280944 0.92 ALDH1A1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9282050 0.86 ALDH1A1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9097665 0.86 ALDH1A1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8907044 0.85 ALDH1A1 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9097388 0.84 ALDH1A1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5683989-A TREATMENT OF CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-11-04 US disclosed
US-5484774-A 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias NOVO NORDISK A/S (DK) 1996-01-16 US disclosed