SCHEMBL9300768

SCHEMBL9300768

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.56
PRKAG1 P54619 2/20 0.56
PRKAA2 P54646 2/20 0.56
PRKAA1 Q13131 2/20 0.56
PRKAG3 Q9UGI9 2/20 0.56
PRKAG2 Q9UGJ0 2/20 0.56
PRKAB1 Q9Y478 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MARS1 P56192 1/20 0.51
ADORA1 P30542 4/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PRKACA P17612 2/20 0.50
DNPH1 O43598 1/20 0.50

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
SCHEMBL5455528 1.00 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19889158 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13597931 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31685764 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4425824 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23982402 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8205660 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11423681 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10033986 0.91 ALDH1A1 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2585546 0.90 ADORA1 (0.60) ALDH1A1ADORA1SMN1; SMN2ADORA3ADORA2A

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-5310895-A Cyclodextrin present in basic solution AJINOMOTO CO., INC. (JP) 1994-05-10 US disclosed