SCHEMBL28668792

SCHEMBL28668792

O=C(O)c1cc(O)c(Br)c2oc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ BLM P54132 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GALK1 P51570 1/20 0.41
▸ PTPN22 Q9Y2R2 3/20 0.40
▸ PTPRC P08575 2/20 0.40
▸ PTPN9 P43378 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39

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
SCHEMBL28669959 0.84 MEN1 (0.42) MEN1KMT2AHSP90AA1POLBPTPN22
SCHEMBL28659185 0.76 MEN1 (0.48) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL10014227 0.76 TNK2 (0.47) MEN1KMT2AHSP90AA1BLMPOLB
SCHEMBL28675671 0.73 MEN1 (0.62) MEN1KMT2AHSP90AA1BLMPTPN22
SCHEMBL28658459 0.73 ALDH1A1 (0.53) HTTRECQLBCL9CTNNB1GPR35
SCHEMBL28659460 0.71 MEN1 (0.49) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28659222 0.70 MEN1 (0.48) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28680692 0.70 MEN1 (0.48) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL28668413 0.69 MEN1 (0.47) MEN1KMT2AHSP90AA1PTPN22PTPRC
SCHEMBL4387282 0.65 PRNP (0.42) AKR1C3AKR1C2AKR1C1AKR1C4ACMSD

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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