SCHEMBL22901077

SCHEMBL22901077

O=c1ccc2nc3ccc(OS(=O)(=O)O)cc3oc-2c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.68
CYP1A2 P05177 1/20 0.64
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
TYR P14679 1/20 0.39
F10 P00742 1/20 0.37
STS P08842 2/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL19627053 0.85 APP (0.62) APPCYP1A2MAOB
SCHEMBL4904672 0.85 APP (0.65) APPCYP1A2GLAGAASTS
SCHEMBL31115697 0.81 APP (1.00) APPCYP1A2MAOB
SCHEMBL10038463 0.81 APP (0.75) APPCYP1A2
SCHEMBL563392 0.81 APP (1.00) APPCYP1A2MAOB
SCHEMBL13428176 0.80 APP (0.68) APPCYP1A2STS
SCHEMBL3974521 0.80 APP (0.72) APPCYP1A2GLAGAA
SCHEMBL1104925 0.79 APP (0.80) APPCYP1A2
SCHEMBL18932158 0.78 APP (0.74) APPCYP1A2GAA
Ethoxyresorufin SCHEMBL104497 0.78 APP (1.00) APPCYP1A2GLA

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
US-20210018497-A1 BRET SENSOR MOLECULES FOR DETECTING HYDROLASES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-01-21 US disclosed