SCHEMBL6717561

SCHEMBL6717561

O=C(O)c1c[nH]c2cc(Cc3ccccc3)c(Cl)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 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
SCHEMBL6713044 0.96 MDH2 (0.55) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4649270 0.87 KDM4E (0.57) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL15956339 0.86 GABRA1 (0.57) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL17338533 0.85 ALDH1A1 (0.54) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4650661 0.84 ALDH1A1 (0.60) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4650034 0.82 KDM4E (0.49) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4650042 0.82 ALDH1A1 (0.58) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4649431 0.81 MDH2 (0.52) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4650048 0.81 KDM4E (0.50) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4649044 0.81 PRKAB2 (0.46) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2

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