SCHEMBL28433872

SCHEMBL28433872

CC(C)n1cc(C#N)c2cc(NC(=O)c3ccnc(F)c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 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
SCHEMBL29940857 1.00 XDH (0.61) XDH
SCHEMBL28429315 0.88 XDH (0.64) XDH
SCHEMBL29940864 0.88 XDH (0.64) XDH
SCHEMBL29940860 0.87 XDH (0.59) XDH
SCHEMBL28896355 0.87 XDH (0.59) XDH
SCHEMBL28430820 0.87 XDH (0.63) XDH
SCHEMBL29940925 0.84 CA9 (0.55) XDH
SCHEMBL28426663 0.84 CA9 (0.55) XDH
SCHEMBL29940871 0.83 XDH (0.61) XDH
SCHEMBL28429980 0.83 XDH (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072634-A 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof 中国医科大学 2020-04-28 CN claimed
CN-111072634-B 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof 中国医科大学 2022-07-22 CN disclosed
CN-111072634-A 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof 中国医科大学 2020-04-28 CN disclosed