SCHEMBL3518550

SCHEMBL3518550

COc1ccc2c(c1)OCc1c(C(=O)OC(=O)c3n[nH]c4c3COc3cc(Br)ccc3-4)n[nH]c1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KMT2A Q03164 5/20 0.39
CYP3A4 P08684 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
APP P05067 3/20 0.39
MAOB P27338 4/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TP53 P04637 3/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL3518546 0.91 MAPT (0.40) MAPTKMT2ACYP3A4KDM4EMEN1
SCHEMBL3747711 0.84 KMT2A (0.44) MAPTKMT2ACYP3A4KDM4EMEN1
SCHEMBL3515824 0.82 MAPT (0.42) MAPTKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL3520429 0.80 HCAR2 (0.41) KMT2AKDM4EPGRAPPALDH1A1
SCHEMBL3518121 0.75 ALDH1A1 (0.43) MAPTKMT2AKDM4EMEN1ALOX15
SCHEMBL3517488 0.74 UGCG (0.49) MAPTKMT2ACYP3A4KDM4EMEN1
Hydrochloric Acid SCHEMBL4732171 0.70 CNR1 (0.36) MAPTKMT2ACYP3A4KDM4EMEN1
SCHEMBL3520556 0.70 CHRNA7 (0.39)
SCHEMBL2172661 0.68 CDK2 (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2173548 0.68 FLT3 (0.56) MAPTKMT2AKDM4EMEN1SMN1; 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 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