SCHEMBL6713044

SCHEMBL6713044

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PRKAB2 O43741 4/20 0.53
PRKAG1 P54619 4/20 0.53
PRKAA2 P54646 4/20 0.53
PRKAA1 Q13131 4/20 0.53
PRKAG3 Q9UGI9 4/20 0.53
PRKAG2 Q9UGJ0 4/20 0.53
PRKAB1 Q9Y478 4/20 0.53
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRB1 P18505 1/20 0.49
GABRA3 P34903 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6717561 0.96 MDH2 (0.54) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4649270 0.90 KDM4E (0.57) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4650661 0.87 ALDH1A1 (0.60) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4650034 0.86 KDM4E (0.49) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4650042 0.85 ALDH1A1 (0.58) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4649431 0.85 MDH2 (0.52) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL15956339 0.85 GABRA1 (0.57) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4650048 0.84 KDM4E (0.50) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL4649044 0.84 PRKAB2 (0.46) MDH2ALDH1A1HPGDSMN1; SMN2PRKAB2
SCHEMBL6714522 0.84 HTT (0.51) 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