SCHEMBL29057449

SCHEMBL29057449

CC(C)c1ccc(NC(=O)CN2CCN(Cc3cnc(N)s3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 15/20 0.61
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29057489 0.90 OGA (0.64) OGAALDH1A1ATMMEN1KMT2A
SCHEMBL29057507 0.89 OGA (0.66) OGAALDH1A1KMT2A
SCHEMBL29057423 0.88 OGA (0.72) OGAMAPTALDH1A1ATMMEN1
SCHEMBL29057479 0.86 OGA (0.72) OGAMAPTALDH1A1TSHRATM
SCHEMBL29057543 0.86 OGA (0.71) OGAALDH1A1ATMMEN1NPC1
SCHEMBL26348732 0.86 OGA (0.84) OGA
SCHEMBL29057539 0.84 OGA (0.76) OGAMAPTMEN1KMT2A
SCHEMBL29057447 0.82 OGA (0.74) OGAALDH1A1ATMMEN1KMT2A
SCHEMBL29057420 0.82 OGA (0.77) OGAMAPTALDH1A1GAAMAPK1
SCHEMBL29057521 0.80 ALDH1A1 (0.65) OGAALDH1A1

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
Send feedback