SCHEMBL13375159

SCHEMBL13375159

O=C(O)c1n[nH]c2cc(CO)ccc12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 18/20 0.63
PRKAA1 Q13131 18/20 0.63
PRKAB1 Q9Y478 18/20 0.63
PRKAB2 O43741 17/20 0.63
PRKAA2 P54646 17/20 0.63
PRKAG3 Q9UGI9 17/20 0.63
PRKAG2 Q9UGJ0 17/20 0.63
HAO1 Q9UJM8 1/20 0.48
FGFR1 P11362 1/20 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
SCHEMBL4603741 0.86 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11919262 0.86 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4604740 0.83 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL5430903 0.83 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27955219 0.82 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27956765 0.82 KDM4E (0.60) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL28253844 0.81 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL176936 0.78 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12879075 0.78 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL15300913 0.78 PRKAB2 (1.00) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed