SCHEMBL29057534

SCHEMBL29057534

Nc1ncc(CN2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 1/20 0.59
▸ OGA O60502 3/20 0.52
▸ PIK3CA P42336 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CLK1 P49759 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL26349079 0.86 OGA (0.72) SLC27A1OGA
SCHEMBL30620440 0.86 OGA (0.72) SLC27A1OGA
SCHEMBL29057509 0.85 OGA (0.48) OGAMEN1KMT2ACLK1ALDH1A1
SCHEMBL29057435 0.84 ALDH1A1 (0.69) OGAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29057486 0.84 SMN1; SMN2 (0.64) MEN1KMT2ACLK1HTTALDH1A1
SCHEMBL29057543 0.82 OGA (0.71) OGAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6864740 0.82 SLC27A1 (0.67) SLC27A1SMN1; SMN2
SCHEMBL29057506 0.80 OGA (0.48) OGAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29057464 0.80 OGA (0.72) OGAMEN1KMT2AHTTALDH1A1
SCHEMBL29057438 0.79 CYP2C19 (0.59) OGAMEN1KMT2AALDH1A1KDM4E

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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