SCHEMBL29057481

SCHEMBL29057481

C=CC(=O)Nc1ncc(CN2CCC(C(=O)NCc3ccccc3)CC2)s1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 9/20 0.78
▸ ACKR3 P25106 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TXK P42681 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL29057413 0.89 OGA (0.64) OGAACKR3HTTSMN1; SMN2
SCHEMBL27022520 0.88 OGA (1.00) OGAHTTSMN1; SMN2
SCHEMBL29057440 0.83 OGA (0.59) OGAACKR3HTTSMN1; SMN2
SCHEMBL16113885 0.82 OGA (0.73) OGAACKR3HTTSMN1; SMN2
SCHEMBL29057545 0.82 OGA (0.73) OGAACKR3NPSR1
SCHEMBL29057544 0.81 OGA (0.58) OGAHTTSMN1; SMN2
SCHEMBL29057529 0.80 OGA (0.79) OGAACKR3SMN1; SMN2
SCHEMBL29057496 0.80 OGA (0.78) OGASMN1; SMN2
SCHEMBL29057511 0.80 OGA (0.78) OGASMN1; SMN2
Lithium Ion SCHEMBL29057495 0.80 SMN1; SMN2 (0.53) OGAHTTSMN1; SMN2

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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