SCHEMBL29057409

SCHEMBL29057409

C=CC(=O)Nc1ncc(CN2CCC(C(=O)NC(C)c3ccc(C)cc3)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 17/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ACKR3 P25106 1/20 0.47
▸ HTT P42858 1/20 0.44

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
SCHEMBL29057440 0.92 OGA (0.59) OGASMN1; SMN2ACKR3HTT
SCHEMBL27008574 0.89 OGA (0.75) OGA
SCHEMBL29057451 0.88 OGA (0.55) OGASMN1; SMN2HTT
SCHEMBL29057529 0.87 OGA (0.79) OGASMN1; SMN2ACKR3
SCHEMBL29057501 0.83 OGA (0.54) OGASMN1; SMN2
SCHEMBL27022529 0.81 OGA (0.74) OGASMN1; SMN2HTT
SCHEMBL29057544 0.80 OGA (0.58) OGASMN1; SMN2HTT
SCHEMBL29057511 0.78 OGA (0.78) OGASMN1; SMN2
SCHEMBL29057496 0.78 OGA (0.78) OGASMN1; SMN2
Lithium Ion SCHEMBL29057495 0.77 SMN1; SMN2 (0.53) OGASMN1; SMN2HTT

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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