SCHEMBL29057420

SCHEMBL29057420

CC(C)c1ccc(NC(=O)C=C2CCN(Cc3cnc(N)s3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 19/20 0.77
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL29057425 0.89 OGA (0.74) OGAMAPK1
SCHEMBL29057531 0.87 OGA (0.74) OGA
SCHEMBL30440403 0.87 OGA (0.73) OGA
SCHEMBL27008541 0.87 OGA (1.00) OGA
SCHEMBL29057431 0.86 OGA (0.77) OGA
SCHEMBL29057455 0.82 OGA (0.78) OGA
SCHEMBL29057449 0.82 OGA (0.61) OGAALDH1A1GAAMAPTMAPK1
SCHEMBL29057539 0.80 OGA (0.76) OGAMAPT
SCHEMBL27022328 0.77 OGA (1.00) OGA
SCHEMBL27008739 0.75 OGA (1.00) OGA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 — — CN disclosed
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