SCHEMBL28346130

SCHEMBL28346130

O=CN1N=C(c2ccccc2OCC(=O)NO)CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KIF11 P52732 5/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL28343222 0.88 KDM4E (0.49) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28205313 0.75 MEN1 (0.64) KMT2AALDH1A1LMNAMEN1MAOA
SCHEMBL28881130 0.72 KDM4E (0.57) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL7041403 0.71 L3MBTL1 (0.64) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28346645 0.67 MAOB (0.60) KDM4EKMT2ALMNAMEN1MAOA
SCHEMBL28346042 0.67 MAOB (0.52) KMT2ANPSR1MEN1MAOAMAOB
SCHEMBL28346117 0.64 KDM4E (0.53) KDM4EGAAKMT2AMEN1KIF11
SCHEMBL28481286 0.63 RIPK1 (0.54) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL27953563 0.63 KMT2A (0.57) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28478706 0.63 PTGS1 (0.43) KMT2AALDH1A1MEN1MAOAMAOB

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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