SCHEMBL289129

SCHEMBL289129

CNCC(O)c1ccc(Br)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
TDP1 Q9NUW8 7/20 0.72
ADRB2 P07550 7/20 0.72
HIF1A Q16665 7/20 0.72
MAPT P10636 6/20 0.72
ADRB1 P08588 6/20 0.72
HSD17B10 Q99714 6/20 0.72
ADRB3 P13945 5/20 0.72
TSHR P16473 5/20 0.72
CYP1A2 P05177 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
ADRA2A P08913 3/20 0.72
ADRA2B P18089 3/20 0.72
ADRA2C P18825 3/20 0.72
ALDH1A1 P00352 3/20 0.72
ADRA1A P35348 3/20 0.72
ADRA1B P35368 3/20 0.72
DRD3 P35462 3/20 0.72
MTOR P42345 3/20 0.72

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
L-Adrenaline SCHEMBL29519331 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Epinephrine SCHEMBL29353423 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Racepinephrine SCHEMBL29396039 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
[11C]Epinephrine SCHEMBL29371663 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Epinephrine SCHEMBL2837188 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
L-Adrenaline SCHEMBL11647 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Racepinephrine SCHEMBL3815 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Racepinephrine SCHEMBL11631789 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
Racepinephrine SCHEMBL20493843 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT
[11C]Epinephrine SCHEMBL29374823 0.84 KDM4E (1.00) KDM4ETDP1ADRB2HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918684-B1 RAPID STERILITY MICROASSAY NOVARTIS AG (CH) 2018-01-10 EP disclosed
US-20170218427-A1 RAPID STERILITY MICROASSAY NOVARTIS AG (CH) 2017-08-03 US disclosed
EP-2918684-A1 RAPID STERILITY MICROASSAY Novartis AG (CH) 2015-09-16 EP disclosed
EP-2427567-B1 RAPID STERILITY MICROASSAY NOVARTIS AG (CH) 2015-04-08 EP disclosed
CN-102414324-A Rapid sterility micro-testing NOVARTIS AG 2012-04-11 CN disclosed
EP-2427567-A1 RAPID STERILITY MICROASSAY Novartis AG (CH) 2012-03-14 EP disclosed
US-20110003300-A1 RAPID STERILITY MICROASSAY NOVARTIS AG (CH) 2011-01-06 US disclosed
WO-2010129521-A1 RAPID STERILITY MICROASSAY NOVARTIS AG (CH) 2010-11-11 WO disclosed