SCHEMBL9620169

SCHEMBL9620169

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
ADORA2B P29275 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2A P29274 3/20 0.38
P2RY1 P47900 1/20 0.35
HINT1 P49773 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33

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
SCHEMBL9620185 0.90 ALDH1A1 (0.54) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6223064 0.88 PRKAB2 (0.46) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL8811718 0.84 LMNA (0.64) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL8809236 0.84 ALDH1A1 (0.54) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6221774 0.82 HINT1 (0.51) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6222354 0.81 ADORA2A (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9620171 0.80 ALDH1A1 (0.40) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6221610 0.78 ADORA2A (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6221793 0.74 LMNA (0.35) ALDH1A1MAPTLMNATP53TDP1
SCHEMBL6223639 0.73 HPGD (0.48) ALDH1A1LMNAADORA2AHINT1HPGD

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
EP-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed
US-4843066-A HYPOTENSIVE AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed