SCHEMBL5493410

SCHEMBL5493410

COC(=O)c1cc(Br)ccc1C.COC(=O)c1cc(Br)ccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL391759 0.92 NR4A2 (0.49) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL29874714 0.92 NR4A2 (0.49) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL30017691 0.87 NR4A2 (0.53) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL155514 0.87 NR4A2 (0.53) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL16050286 0.81 ALDH1A1 (0.50) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL152998 0.81 NR4A2 (0.50) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL29828567 0.81 NR4A2 (0.50) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL16056048 0.80 NR4A2 (0.47) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL550390 0.80 SMN1; SMN2 (0.51) ALDH1A1GAASMN1; SMN2L3MBTL1HSD17B10
SCHEMBL7662781 0.80 NR4A2 (0.49) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1

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-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 WO disclosed