SCHEMBL29898232

SCHEMBL29898232

CC(C)Cn1nc(C#N)c2cc(-n3cc(C(=O)O)cn3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49

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
SCHEMBL27167485 1.00 XDH (0.49) XDH
SCHEMBL29898261 0.88 PFKFB2 (0.41) XDH
SCHEMBL27167474 0.88 PFKFB2 (0.41) XDH
SCHEMBL27167496 0.87 XDH (0.50) XDH
SCHEMBL29898237 0.87 XDH (0.50) XDH
SCHEMBL26619307 0.85
SCHEMBL29898267 0.85
SCHEMBL1648968 0.84 XDH (0.53) XDH
SCHEMBL29898262 0.83 HPGDS (0.41)
SCHEMBL26619424 0.83

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-115160299-B Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2024-08-16 CN disclosed
CN-115160299-A Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2022-10-11 CN disclosed