SCHEMBL4714249

SCHEMBL4714249

[NH]CC(O)c1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
TDP1 Q9NUW8 7/20 0.64
ADRB2 P07550 7/20 0.64
KDM4E B2RXH2 7/20 0.64
BLM P54132 6/20 0.64
ADRB1 P08588 6/20 0.64
MAPK1 P28482 5/20 0.64
RECQL P46063 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ADRB3 P13945 4/20 0.64
ADRA1D P25100 4/20 0.64
APEX1 P27695 3/20 0.64
HPGD P15428 3/20 0.64
ADORA3 P0DMS8 3/20 0.64
DRD2 P14416 3/20 0.64
ADRA1A P35348 3/20 0.64
ADRA1B P35368 3/20 0.64
CYP3A4 P08684 3/20 0.64
ADRA2A P08913 3/20 0.64

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
SCHEMBL6462710 0.80 ADRB2 (0.59) TDP1ADRB2ADRB1TSHRHIF1A
SCHEMBL141609 0.80 MAPT (0.67) MAPTTDP1ADRB2KDM4EBLM
SCHEMBL29457616 0.80 MAPT (0.67) MAPTTDP1ADRB2KDM4EBLM
Norepinephrine SCHEMBL2609 0.78 TDP1 (1.00) MAPTTDP1ADRB2KDM4EBLM
SCHEMBL22920980 0.78 TDP1 (0.64) MAPTTDP1ADRB2KDM4EBLM
SCHEMBL11320084 0.78 MAPT (0.64) MAPTTDP1ADRB2KDM4EBLM
Norepinephrine SCHEMBL2429869 0.78 TDP1 (1.00) MAPTTDP1ADRB2KDM4EBLM
SCHEMBL2988507 0.78 TDP1 (0.64) MAPTTDP1ADRB2KDM4EBLM
L-Norepinephrine SCHEMBL3489077 0.78 TDP1 (1.00) MAPTTDP1ADRB2KDM4EBLM
Norepinephrine SCHEMBL29399946 0.78 TDP1 (1.00) MAPTTDP1ADRB2KDM4EBLM

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-1625126-B1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed