SCHEMBL28170258

SCHEMBL28170258

O=CC(=O)c1c[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 17/20 0.48
PRKAG1 P54619 17/20 0.48
PRKAA2 P54646 17/20 0.48
PRKAA1 Q13131 17/20 0.48
PRKAG3 Q9UGI9 17/20 0.48
PRKAG2 Q9UGJ0 17/20 0.48
PRKAB1 Q9Y478 17/20 0.48
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
NR4A2 P43354 2/20 0.39

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
SCHEMBL23612266 0.82 PRKAG1 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27723109 0.80 F7 (0.71) F7F3NR4A2
SCHEMBL28770407 0.80 NR4A2 (0.61) F7F3NR4A2
SCHEMBL28170057 0.79 GPR84 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27545498 0.79 NR4A2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23612197 0.76 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29988111 0.76 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27640249 0.76 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL613338 0.75 MAPK1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28940822 0.73 HPGD (0.49) F7F3NR4A2

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
CN-107428691-A Bicyclic formamides of 2 aryl quinoline 4 of substituted N and application thereof 拜耳制药股份公司 2017-12-01 CN disclosed
CN-107074773-A Substituted N, the formamide of 2 biaryl quinolin 4 and application thereof 拜耳制药股份公司 2017-08-18 CN disclosed