SCHEMBL28429336

SCHEMBL28429336

C=CCn1cc(C#N)c2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.65
CA9 Q16790 1/20 0.51

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
SCHEMBL28429398 0.87 CA9 (0.66) XDHCA9
SCHEMBL29940471 0.87 XDH (0.65) XDHCA9
SCHEMBL28432911 0.87 XDH (0.65) XDHCA9
SCHEMBL29940747 0.87 XDH (0.62) XDHCA9
SCHEMBL28432413 0.87 XDH (0.62) XDHCA9
SCHEMBL28432916 0.85 XDH (0.65) XDHCA9
SCHEMBL28429322 0.85 XDH (0.72) XDHCA9
SCHEMBL28432409 0.84 XDH (0.67) XDHCA9
SCHEMBL28427099 0.81 XDH (0.61) XDHCA9
SCHEMBL28430820 0.79 XDH (0.63) XDHCA9

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