SCHEMBL28205313

SCHEMBL28205313

O=CN1N=C(c2ccccc2O)CC1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ ATM Q13315 2/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ MAOA P21397 4/20 0.57
▸ MAOB P27338 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ AOC1 P19801 1/20 0.49
▸ PRKCZ Q05513 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
SCHEMBL28205855 0.80 MEN1 (0.60) MEN1KMT2AATMHSP90AA1MAOA
SCHEMBL11713041 0.78 MEN1 (0.69) MEN1KMT2AATMHSP90AA1MAOA
SCHEMBL28205856 0.77 MEN1 (0.74) MEN1KMT2AATMHSP90AA1MAOA
SCHEMBL28343222 0.75 KDM4E (0.49) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL28346130 0.75 KDM4E (0.46) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL28481286 0.73 RIPK1 (0.54) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL6292699 0.72 ESD (0.75) MEN1KMT2AATMHSP90AA1MAOA
SCHEMBL28478706 0.70 PTGS1 (0.43) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL27276997 0.69 MAOB (0.76) MEN1KMT2AMAOAMAOBAOC1
SCHEMBL6294304 0.68 MEN1 (0.64) MEN1KMT2AATMHSP90AA1MAOA

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 4 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-A Pyrazolines aminopeptidase N inhibitor and its preparation method and application 山东大学 2018-03-23 — — CN claimed
CN-107827820-B Pyrazoline aminopeptidase N inhibitor and preparation method and application thereof 山东大学 2020-01-07 — — CN disclosed
CN-107827820-A Pyrazolines aminopeptidase N inhibitor and its preparation method and application 山东大学 2018-03-23 — — CN disclosed
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