SCHEMBL3518546

SCHEMBL3518546

COc1ccc2c(c1)OCc1c(C(=O)O)n[nH]c1-2.O=C(O)c1n[nH]c2c1COc1cc(Br)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 4/20 0.40
MEN1 O00255 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPL P05186 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CLK1 P49759 1/20 0.40
PGR P06401 1/20 0.39
APP P05067 3/20 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
SCHEMBL3747711 0.94 KMT2A (0.44) MAPTKDM4EKMT2ACYP3A4MEN1
SCHEMBL3518550 0.91 MAPT (0.39) MAPTKDM4EKMT2ACYP3A4MEN1
SCHEMBL3520429 0.90 HCAR2 (0.41) KDM4EKMT2APRKAG1PRKAA1PRKAB1
SCHEMBL3518121 0.85 ALDH1A1 (0.43) MAPTKDM4EKMT2AMEN1PRKAG1
SCHEMBL3515824 0.79 MAPT (0.42) MAPTKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL3517488 0.75 UGCG (0.49) MAPTKDM4EKMT2ACYP3A4MEN1
SCHEMBL2171482 0.73 KDM4E (0.59) KDM4EKMT2AALPLHSD17B10MAOB
SCHEMBL4726990 0.72 PDGFRB (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL17375067 0.71 PRKAG1 (0.34) MAPTKDM4EKMT2AMEN1PRKAG1
SCHEMBL3521482 0.71 IDH1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 WO disclosed