SCHEMBL28429322

SCHEMBL28429322

CCCn1cc(C#N)c2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.72
CA9 Q16790 1/20 0.56

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 0.92 CA9 (0.66) XDHCA9
SCHEMBL28571559 0.89 XDH (0.71) XDH
SCHEMBL28569043 0.88 XDH (0.68) XDH
SCHEMBL30464260 0.88 XDH (0.68) XDH
SCHEMBL28429980 0.87 XDH (0.61) XDHCA9
SCHEMBL28429924 0.87 XDH (0.61) XDHCA9
SCHEMBL29940871 0.87 XDH (0.61) XDHCA9
SCHEMBL28568422 0.87 XDH (0.66) XDH
SCHEMBL30464268 0.87 XDH (0.66) XDH
SCHEMBL28427099 0.86 XDH (0.61) 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