SCHEMBL21556952

SCHEMBL21556952

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.42
ADRB3 P13945 5/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 7/20 0.42
ADRB2 P07550 6/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MTOR P42345 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 3/20 0.42
ADORA3 P0DMS8 3/20 0.42
DRD2 P14416 3/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42

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 0.83 MAPT (0.60) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL19361259 0.82 ADRB1 (0.63) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL21556961 0.79 MAPT (0.44) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL13840703 0.79 MAPT (0.47) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL14769308 0.79 MAPT (0.44) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL14769097 0.73 HIF1A (0.61) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL20852549 0.73 HIF1A (0.61) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL21556907 0.72 HSD17B10 (0.37) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL20852558 0.72 BCAT2 (0.35) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL21556958 0.72 BCAT2 (0.45) ADRB1ADRB3ADRA2AADRA2BADRA2C

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