SCHEMBL29057422

SCHEMBL29057422

COc1cccc(NC(=O)CN2CCN(Cc3cnc(N)s3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 6/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 2/20 0.55
▸ DRD4 P21917 2/20 0.54
▸ KDR P35968 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL29057521 0.87 ALDH1A1 (0.65) OGAALDH1A1DRD4
SCHEMBL27008589 0.87 OGA (0.79) OGASMN1; SMN2ALDH1A1
SCHEMBL29057474 0.85 ALDH1A1 (0.61) OGASMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL29057543 0.85 OGA (0.71) OGASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL29057507 0.81 OGA (0.66) OGAALDH1A1KMT2A
SCHEMBL29057435 0.81 ALDH1A1 (0.69) OGASMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL29057479 0.81 OGA (0.72) OGAALDH1A1LMNAMAPTTSHR
SCHEMBL29057489 0.80 OGA (0.64) OGAALDH1A1MEN1KMT2A
SCHEMBL30439671 0.79 OGA (0.59) OGAALDH1A1LMNAMAPTTSHR
SCHEMBL29057488 0.79 OGA (0.59) OGAALDH1A1LMNAMAPTTSHR

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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