SCHEMBL21556961

SCHEMBL21556961

N=C(N)NC[C@H](O)c1ccc(Br)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TDP1 Q9NUW8 7/20 0.44
ADRB2 P07550 6/20 0.44
ADRB1 P08588 6/20 0.44
KDM4E B2RXH2 6/20 0.44
ADRB3 P13945 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MTOR P42345 3/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.44
ADORA3 P0DMS8 3/20 0.44
DRD2 P14416 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44

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
SCHEMBL10445887 0.86 MAPT (0.60) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL13840703 0.82 MAPT (0.47) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL14769308 0.82 MAPT (0.44) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL19361259 0.82 ADRB1 (0.63) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL21556952 0.79 ADRB1 (0.42) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL21556906 0.79 BCAT2 (0.46) TDP1KDM4EALDH1A1HIF1ABLM
SCHEMBL289129 0.78 KDM4E (0.72) MAPTTDP1ADRB2ADRB1KDM4E
SCHEMBL19361242 0.77 BCAT2 (0.45) ADRB2ADRB1KDM4EADRB3TSHR
SCHEMBL22826941 0.76 ADRA2A (0.41) TDP1ADRB2ADRB1KDM4EADRB3
SCHEMBL14769097 0.75 HIF1A (0.61) ADRB2ADRB1KDM4EADRB3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed