SCHEMBL28346645

SCHEMBL28346645

CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1OCC(=O)NO

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ MAOA P21397 2/20 0.60
▸ LMNA P02545 2/20 0.55
▸ ACHE P22303 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ NT5E P21589 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NCOA2 Q15596 1/20 0.50
▸ NCOA1 Q15788 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50

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
SCHEMBL28346042 0.90 MAOB (0.52) MAOBPTGS2MAOAMEN1PPARG
SCHEMBL28343226 0.88 MAOB (0.64) MAOBPTGS2MAOALMNAACHE
SCHEMBL28343220 0.79 MAOB (0.59) MAOBPTGS2MAOAKDM4EMEN1
SCHEMBL20989157 0.77 NPSR1 (0.58) PTGS2LMNAPKMKDM4EMEN1
SCHEMBL14133297 0.75 ALDH1A1 (0.66) MAOBPTGS2MAOAPKMKDM4E
SCHEMBL14133335 0.75 ALDH1A1 (0.65) MAOBPTGS2MAOAPKMKDM4E
SCHEMBL1658926 0.73 NT5E (0.82) MAOBACHENT5E
SCHEMBL14133506 0.72 MAOB (0.70) MAOBPTGS2MAOAKDM4EMEN1
SCHEMBL14133755 0.72 MAOB (0.70) MAOBPTGS2MAOAPKMKDM4E
SCHEMBL3312460 0.72 MAOB (0.78) MAOBMAOAACHEPKMKDM4E

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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