SCHEMBL29057447

SCHEMBL29057447

Nc1ncc(CN2CCN(CC(=O)Nc3ccc(Cc4ccccc4)cc3)CC2)s1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 10/20 0.74
▸ ATM Q13315 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ LMNA P02545 1/20 0.48
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL29057543 0.92 OGA (0.71) OGAATMMEN1KMT2AALDH1A1
SCHEMBL29057489 0.87 OGA (0.64) OGAATMMEN1KMT2AALDH1A1
SCHEMBL29057492 0.86 OGA (0.79) OGAATMMEN1KMT2ALMNA
SCHEMBL29057507 0.86 OGA (0.66) OGAKMT2AALDH1A1CA1CA2
SCHEMBL27022322 0.85 OGA (1.00) OGA
SCHEMBL29057423 0.85 OGA (0.72) OGAATMMEN1KMT2AALDH1A1
SCHEMBL29057479 0.85 OGA (0.72) OGAATMKMT2AALDH1A1LMNA
SCHEMBL29057449 0.82 OGA (0.61) OGAATMMEN1KMT2AALDH1A1
SCHEMBL29057464 0.81 OGA (0.72) OGAMEN1KMT2AALDH1A1LMNA
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