SCHEMBL28901369

SCHEMBL28901369

C=Cc1ccc(O)c(CNNc2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL28901423 0.87 MAOA (0.43) MAOAMAOBMEN1KMT2AALOX12
SCHEMBL9306693 0.68 MEN1 (0.47) MAOAMAOBMEN1KMT2APOLB
SCHEMBL30101971 0.68 TRPA1 (0.48) ADRB2ADRB1ALDH1A1POLBRECQL
SCHEMBL685704 0.68 TRPA1 (0.48) ADRB2ADRB1ALDH1A1POLBRECQL
SCHEMBL1521372 0.67 ALDH1A1 (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9463175 0.67 KDM4E (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4613626 0.66 GABRA1 (0.66) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13899836 0.66 TRPA1 (0.50) MEN1KMT2AALOX12KDM4EMAPT
SCHEMBL5855849 0.66 HSPA5 (0.57) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL12023085 0.65 MEN1 (0.50) MEN1KMT2AMAPTPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403475-A Preparation method and application of diagnostic reagent for specifically detecting copper ion concentration 天津理工大学 2022-11-29 — — CN disclosed
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