SCHEMBL29057484

SCHEMBL29057484

C=CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3ccccc3C)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OGA O60502 14/20 0.60
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.46
HBB P68871 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27008685 0.88 OGA (0.76) OGA
SCHEMBL29057520 0.86 OGA (0.76) OGALMNASMN1; SMN2
SCHEMBL29057448 0.85 OGA (0.71) OGA
SCHEMBL29057418 0.83 OGA (0.63) OGA
SCHEMBL29057538 0.83 OGA (0.61) OGALMNASMN1; SMN2
SCHEMBL29057493 0.82 MEN1 (0.56) OGAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL29057471 0.79 OGA (0.55) OGASMN1; SMN2
SCHEMBL27008568 0.76 OGA (0.72) OGALMNASMN1; SMN2
SCHEMBL29057490 0.76 OGA (0.81) OGA
SCHEMBL29057487 0.76 OGA (0.61) OGAKMT2ASMN1; 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