SCHEMBL6712878

SCHEMBL6712878

Cc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CSNK2A1 P68400 2/20 0.54
PRKAB2 O43741 7/20 0.53
PRKAG1 P54619 7/20 0.53
PRKAA2 P54646 7/20 0.53
PRKAA1 Q13131 7/20 0.53
PRKAG3 Q9UGI9 7/20 0.53
PRKAG2 Q9UGJ0 7/20 0.53
PRKAB1 Q9Y478 7/20 0.53
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
MDH2 P40926 1/20 0.47
HTT P42858 1/20 0.47
F7 P08709 1/20 0.46

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
SCHEMBL17417711 0.91 PRKAG1 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17417668 0.84 PRKAB2 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18088275 0.83 KDM4E (0.54) CSNK2A2CSNK2BCSNK2A1KDM4EHPGD
SCHEMBL6714522 0.82 HTT (0.51) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL7166839 0.82 GABRA1 (0.63) KDM4EHPGDMEN1ALDH1A1CYP1A2
SCHEMBL12786970 0.82 KDM4E (0.52) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL10478126 0.82 KDM4E (0.60) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL5515830 0.82 KDM4E (0.52) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL15054374 0.78 HPGD (0.59) CSNK2A2CSNK2BCSNK2A1KDM4EHPGD
SCHEMBL5303665 0.77 KDM4E (0.48) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1

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-1453846-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
WO-2003042228-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-05-22 WO disclosed