SCHEMBL16994967

SCHEMBL16994967

COc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Br)=C3Br)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 11/20 0.83
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HKDC1 Q2TB90 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL289533 0.91 PDF (1.00) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL289946 0.84 PDF (0.77) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290580 0.84 PDF (0.77) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL801251 0.82 PDF (0.82) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290648 0.82 PDF (1.00) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290072 0.82 PDF (1.00) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL16994964 0.81 PDF (0.81) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290535 0.77 PDF (0.65) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290433 0.77 PDF (0.77) PDFMAPTKDM4ENPSR1MAPK1
SCHEMBL290557 0.76 PDF (0.72) PDFMAPTKDM4ENPSR1MAPK1

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
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 — — EP disclosed
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