SCHEMBL28404389

SCHEMBL28404389

N#Cc1cn(CC2CCCCC2)c2cc(-c3noc(=O)[nH]3)ccc12

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61

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
SCHEMBL28404383 0.95 XDH (0.59) XDH
SCHEMBL28404838 0.92 XDH (0.69) XDH
SCHEMBL28409173 0.87 XDH (0.69) XDH
SCHEMBL28890034 0.82 XDH (0.85) XDH
SCHEMBL28407773 0.80 XDH (0.57) XDH
SCHEMBL28399405 0.79
SCHEMBL28404911 0.79 XDH (0.50) XDH
SCHEMBL28890422 0.78
SCHEMBL28407930 0.78
SCHEMBL28404046 0.78 XDH (0.59) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072647-B 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2021-02-26 CN claimed
CN-111072647-A 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2020-04-28 CN claimed