SCHEMBL30564979

SCHEMBL30564979

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRCP P42785 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ KDM1A O60341 3/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ GNPAT O15228 1/20 0.35
▸ FURIN P09958 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ GHSR Q92847 1/20 0.34
▸ CTSC P53634 1/20 0.34

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
SCHEMBL30745230 0.96 MEN1 (0.41) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL29496543 0.94 MEN1 (0.44) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL31632216 0.91 MEN1 (0.41) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL29517196 0.91 MEN1 (0.40) MEN1KMT2APRCPKDM1ADPP7
SCHEMBL31621498 0.90 MEN1 (0.52) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL30712166 0.90 MAPK8 (0.43) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL30658561 0.90 MAPK8 (0.43) MEN1KMT2APRCPKEAP1KDM1A
SCHEMBL8759336 0.90 MEN1 (0.47) MEN1KMT2APRCPDPP7MAPK8
SCHEMBL17711236 0.90 MEN1 (0.47) MEN1KMT2APRCPDPP7MAPK8
SCHEMBL31487414 0.90 MEN1 (0.47) MEN1KMT2APRCPDPP7MAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574740-B PuNAC47 gene related to drought resistance of populus euphratica and application thereof 沈阳农业大学 2024-06-18 — — CN disclosed
CN-116574740-A PuNAC47 gene related to drought resistance of populus euphratica and application thereof 沈阳农业大学 2023-08-11 — — CN disclosed
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