SCHEMBL28205907

SCHEMBL28205907

O=CNN1N=C(c2ccccc2)CC1c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.56
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ TLR9 Q9NR96 1/20 0.51
▸ MAOA P21397 8/20 0.50
▸ MAOB P27338 8/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ PKM P14618 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47

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 0.78 MEN1 (0.60) MEN1KMT2AHSP90AA1MAOAMAOB
SCHEMBL28205908 0.73 NPSR1 (0.74) NPSR1POLBMEN1KMT2AMAOA
SCHEMBL7039863 0.69 MEN1 (0.61) NPSR1POLBMEN1KMT2AHSP90AA1
SCHEMBL10016510 0.69 POLB (1.00) NPSR1POLBMEN1KMT2AMAOA
SCHEMBL14138529 0.68 PKM (0.66) PKM
SCHEMBL27955203 0.67 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9MAOA
SCHEMBL27955195 0.67 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9CA1
SCHEMBL27955191 0.67 EGFR (0.71) NPSR1MEN1KMT2AHSP90AA1TLR9
SCHEMBL27955196 0.67 EGFR (0.71) NPSR1MEN1KMT2AHSP90AA1TLR9
SCHEMBL3594537 0.63 PKM (0.63) MEN1KMT2AHSP90AA1TLR9PKM

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-A Pyrazolines aminopeptidase N inhibitor and its preparation method and application 山东大学 2018-03-23 — — CN claimed
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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