SCHEMBL4650147

SCHEMBL4650147

O=C(O)c1c[nH]c2cc(Cc3c(F)cccc3F)cc(F)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MDH2 P40926 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKAB2 O43741 3/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA2 P54646 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAG3 Q9UGI9 3/20 0.39
PRKAG2 Q9UGJ0 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 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
SCHEMBL4649293 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4748307 0.89 KDM4E (0.45) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4650156 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4650046 0.81 RAB9A (0.47) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4649433 0.80 CYP1A2 (0.53) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4650035 0.80 CSNK2A2 (0.43) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4650115 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL2971998 0.79 CYP1A2 (0.55) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4649441 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDMDH2SMN1; SMN2
SCHEMBL4650048 0.75 KDM4E (0.50) KDM4EALDH1A1HPGDMDH2SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO claimed
EP-1963271-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 WO disclosed