SCHEMBL16615371

SCHEMBL16615371

C=C(c1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)nc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 15/20 0.65
MAPK14 Q16539 1/20 0.49
POLB P06746 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL10284465 0.93 PRKAA2 (0.75) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518813 0.91 PRKAA2 (0.78) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284469 0.89 PRKAA2 (0.62) PRKAA2MAPK14PRKAB2PRKAG1PRKAA1
SCHEMBL518077 0.86 PRKAA2 (0.81) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284473 0.86 PRKAA2 (0.82) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16615396 0.85 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518744 0.84 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518229 0.83 PRKAA2 (0.71) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518006 0.83 PRKAA2 (0.84) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284155 0.83 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed