SCHEMBL29057539

SCHEMBL29057539

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

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 10/20 0.76
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 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
SCHEMBL29057473 0.89 OGA (0.73) OGAKMT2AMAPT
SCHEMBL29057442 0.89 OGA (0.74) OGAKMT2A
SCHEMBL29057430 0.89 OGA (0.77) OGAMAPTLMNA
SCHEMBL29057542 0.87 OGA (0.73) OGAKMT2AMEN1
SCHEMBL29057426 0.86 OGA (0.72) OGAKMT2A
SCHEMBL27008565 0.86 OGA (1.00) OGA
SCHEMBL29057449 0.84 OGA (0.61) OGAKMT2AMEN1MAPT
SCHEMBL29057501 0.81 OGA (0.54) OGAKMT2ALMNA
SCHEMBL29057420 0.80 OGA (0.77) OGAMAPT
SCHEMBL29057465 0.80 OGA (0.53) OGAKMT2AMEN1MAPT

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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