SCHEMBL28675671

SCHEMBL28675671

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ HSP90AA1 P07900 1/20 0.62
▸ CYP3A4 P08684 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ ABCB1 P08183 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ XDH P47989 4/20 0.52
▸ CA12 O43570 3/20 0.52
▸ CYP1A1 P04798 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2D6 P10635 3/20 0.52
▸ PPARG P37231 3/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CYP1B1 Q16678 3/20 0.52
▸ FTO Q9C0B1 3/20 0.52
▸ CYP19A1 P11511 2/20 0.52
▸ MAOA P21397 2/20 0.52
▸ CA4 P22748 2/20 0.52

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) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL30081083 0.86 XDH (0.57) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28297822 0.86 XDH (0.57) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28659222 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28680692 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28659185 0.85 MEN1 (0.48) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28668413 0.84 MEN1 (0.47) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28654877 0.81 ADORA3 (0.52) MEN1KMT2AHSP90AA1CYP3A4MAPT
SCHEMBL28677778 0.81 PTPN22 (0.44) MEN1KMT2AHSP90AA1MAPTCYP2C9
SCHEMBL28654975 0.79 MAPT (0.53) MEN1KMT2AHSP90AA1MAPTABCB1

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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