SCHEMBL28407987

SCHEMBL28407987

CC(C)Cn1cc(C#N)c2cc(-c3noc(=O)[nH]3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.68

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
SCHEMBL28407773 0.92 XDH (0.57) XDH
SCHEMBL28399393 0.90 XDH (0.69) XDH
SCHEMBL28399392 0.84 XDH (0.67) XDH
SCHEMBL28407936 0.84
SCHEMBL28404022 0.83 XDH (0.68) XDH
SCHEMBL28405495 0.83
SCHEMBL28412661 0.82
SCHEMBL28409173 0.82 XDH (0.69) XDH
SCHEMBL28410343 0.82 XDH (0.46) XDH
SCHEMBL28407944 0.82

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