SCHEMBL28659185

SCHEMBL28659185

O=C(O)c1cc(Br)cc2oc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ AKR1C3 P42330 3/20 0.48
▸ AKR1C2 P52895 3/20 0.48
▸ AKR1C1 Q04828 3/20 0.48
▸ PTPN22 Q9Y2R2 5/20 0.42
▸ PTPRC P08575 4/20 0.42
▸ PTPN9 P43378 4/20 0.42
▸ PTPN11 Q06124 4/20 0.42
▸ PTPN1 P18031 4/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPN6 P29350 3/20 0.40
▸ DUSP3 P51452 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL28659460 0.87 MEN1 (0.49) MEN1KMT2AHSP90AA1AKR1C3AKR1C2
SCHEMBL28680692 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1AKR1C3AKR1C2
SCHEMBL28675671 0.85 MEN1 (0.62) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28659222 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28668413 0.84 MEN1 (0.47) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28654877 0.81 ADORA3 (0.52) MEN1KMT2AHSP90AA1PTPN22PTPN11
SCHEMBL30022975 0.81 PTGS2 (0.41) MEN1KMT2AHSP90AA1PTPN1MAPT
SCHEMBL28677778 0.81 PTPN22 (0.44) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28654975 0.77 MAPT (0.53) MEN1KMT2AHSP90AA1MAPTABCB1
SCHEMBL28668792 0.76 MEN1 (0.42) MEN1KMT2AHSP90AA1AKR1C3AKR1C2

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-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 — — CN disclosed
CN-113754619-A Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2021-12-07 — — CN disclosed
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