SCHEMBL28346117

SCHEMBL28346117

CCC(=O)N1N=C(c2ccccc2OCCCC(=O)OC)CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ TERT O14746 1/20 0.51
▸ KIF11 P52732 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 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
SCHEMBL28881130 0.79 KDM4E (0.57) KDM4EGAAKIF11MEN1KMT2A
SCHEMBL28343222 0.73 KDM4E (0.49) KDM4EGAAKIF11MEN1KMT2A
SCHEMBL28343225 0.72 MAOA (0.58) KDM4EKIF11KMT2AMAOAMAOB
SCHEMBL3622572 0.67 KIF11 (0.71) TERTKIF11
SCHEMBL14132769 0.67 KDM4E (0.83) KDM4EGAAMEN1KMT2A
SCHEMBL30590298 0.66 MEN1 (0.59) KDM4EGAAMEN1KMT2AMAOA
SCHEMBL30590318 0.66 MEN1 (0.59) KDM4EGAAMEN1KMT2AMAOA
SCHEMBL13986558 0.66 MEN1 (0.58) MEN1KMT2A
SCHEMBL5318251 0.64 LMNA (0.65) —
SCHEMBL3313199 0.64 KDM4E (0.75) KDM4EKMT2AMAOAMAOB

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-107827820-B Pyrazoline aminopeptidase N inhibitor and preparation method and application thereof 山东大学 2020-01-07 — — CN claimed
CN-107827820-B Pyrazoline aminopeptidase N inhibitor and preparation method and application thereof 山东大学 2020-01-07 — — CN disclosed
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