SCHEMBL29057440

SCHEMBL29057440

C=CC(=O)Nc1ncc(CN2CCC(C(=O)NC(C)c3ccccc3)CC2)s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 13/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ ACKR3 P25106 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL29057409 0.92 OGA (0.60) OGASMN1; SMN2HTTACKR3
SCHEMBL29057451 0.90 OGA (0.55) OGASMN1; SMN2HTT
SCHEMBL27022529 0.89 OGA (0.74) OGASMN1; SMN2HTT
SCHEMBL29057481 0.83 OGA (0.78) OGASMN1; SMN2HTTACKR3
SCHEMBL29057465 0.82 OGA (0.53) OGASMN1; SMN2RECQLTP53
SCHEMBL27008574 0.81 OGA (0.75) OGA
SCHEMBL29057544 0.81 OGA (0.58) OGASMN1; SMN2HTT
SCHEMBL16113885 0.80 OGA (0.73) OGASMN1; SMN2HTTACKR3
SCHEMBL29057529 0.80 OGA (0.79) OGASMN1; SMN2ACKR3
SCHEMBL30754202 0.79 OGA (0.68) OGA

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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