SCHEMBL8907217

SCHEMBL8907217

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
NT5E P21589 9/20 0.42
ACHE P22303 2/20 0.41

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
SCHEMBL8908739 1.00 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9099190 0.93 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9097511 0.93 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8907044 0.92 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8908328 0.92 ALDH1A1 (0.48) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8908562 0.92 PRKAB2 (0.48) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9280944 0.92 ALDH1A1 (0.48) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9282050 0.91 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9097388 0.91 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9097665 0.91 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1

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