SCHEMBL29057543

SCHEMBL29057543

Nc1ncc(CN2CCN(CC(=O)Nc3ccccc3)CC2)s1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 9/20 0.71
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ THRB P10828 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KCNA5 P22460 1/20 0.51

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
SCHEMBL29057447 0.92 OGA (0.74) OGALMNAALDH1A1ATMMEN1
SCHEMBL29057489 0.91 OGA (0.64) OGAALDH1A1ATMMEN1KMT2A
SCHEMBL29057507 0.90 OGA (0.66) OGAALDH1A1KMT2AKCNA5
SCHEMBL29057423 0.89 OGA (0.72) OGALMNAALDH1A1ATMMEN1
SCHEMBL29057479 0.89 OGA (0.72) OGALMNAALDH1A1THRBATM
SCHEMBL29057521 0.87 ALDH1A1 (0.65) OGAALDH1A1
SCHEMBL29057464 0.86 OGA (0.72) OGALMNASMN1; SMN2ALDH1A1THRB
SCHEMBL29057449 0.86 OGA (0.61) OGASMN1; SMN2ALDH1A1ATMNPC1
SCHEMBL29057518 0.85 OGA (0.77) OGALMNASMN1; SMN2ALDH1A1THRB
SCHEMBL29057493 0.84 MEN1 (0.56) OGALMNASMN1; SMN2ALDH1A1MEN1

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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