SCHEMBL28901423

SCHEMBL28901423

C=Cc1ccc(O)c(CNc2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ MAPT P10636 6/20 0.43
▸ GAA P10253 4/20 0.43
▸ RECQL P46063 2/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 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
SCHEMBL28901369 0.87 MAOA (0.42) MAOAMAOBCA12CA9CA2
SCHEMBL1521372 0.77 ALDH1A1 (0.60) CA12CA9MEN1KMT2AMAPT
SCHEMBL22624762 0.74 KMT2A (0.60) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12670825 0.71 CA12 (0.56) CA12CA9CA2MEN1KMT2A
SCHEMBL9306693 0.70 MEN1 (0.47) MAOAMAOBMEN1KMT2AHSD17B10
SCHEMBL30101971 0.69 TRPA1 (0.48) RECQLALDH1A1TSHR
SCHEMBL685704 0.69 TRPA1 (0.48) RECQLALDH1A1TSHR
SCHEMBL13899836 0.68 TRPA1 (0.50) MEN1KMT2AMAPTRECQLALDH1A1
SCHEMBL17175734 0.68 MEN1 (0.65) CA12CA9CA2MEN1KMT2A
SCHEMBL5855849 0.67 HSPA5 (0.57) CA12CA2MEN1KMT2AMAPT

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 3 patents. 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 claimed
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
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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