SCHEMBL29057446

SCHEMBL29057446

C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1Cc1cnc(N)s1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 14/20 0.77
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNA5 P22460 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
SCHEMBL29057450 1.00 OGA (0.77) OGAATMMAPTHRH3ALDH1A1
SCHEMBL29057480 1.00 OGA (0.77) OGAATMMAPTHRH3ALDH1A1
SCHEMBL29057427 0.91 OGA (0.77) OGAATMALDH1A1
SCHEMBL29057518 0.91 OGA (0.77) OGAALDH1A1SMN1; SMN2
SCHEMBL29057492 0.88 OGA (0.79) OGAATMHRH3
SCHEMBL27008577 0.87 OGA (1.00) OGA
SCHEMBL27022324 0.87 OGA (1.00) OGA
SCHEMBL27022399 0.87 OGA (1.00) OGA
SCHEMBL29057470 0.85 OGA (0.81) OGAMAPTHRH3ALDH1A1TSHR
SCHEMBL29057423 0.85 OGA (0.72) OGAATMMAPTALDH1A1KCNA5

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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