SCHEMBL28343222

SCHEMBL28343222

COC(=O)COc1ccccc1C1=NN(C=O)C(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KIF11 P52732 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PDE5A O76074 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL28346130 0.88 KDM4E (0.46) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28881130 0.83 KDM4E (0.57) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28205313 0.75 MEN1 (0.64) KMT2AALDH1A1LMNAMEN1MAOA
SCHEMBL28346117 0.73 KDM4E (0.53) KDM4EGAAKMT2AKIF11MEN1
SCHEMBL14327977 0.72 L3MBTL1 (0.64) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL28343226 0.68 MAOB (0.64) KMT2ALMNAMEN1MAOAMAOB
SCHEMBL28343220 0.67 MAOB (0.59) KDM4EKMT2AALDH1A1MEN1MAOA
SCHEMBL10506317 0.67 SMN1; SMN2 (0.60) KDM4EKMT2AALDH1A1LMNAHTT
SCHEMBL28481286 0.67 RIPK1 (0.54) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL15517575 0.66 ALDH1A1 (0.57) KDM4EKMT2AALDH1A1LMNAHTT

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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