SCHEMBL16994987

SCHEMBL16994987

BC1=C(Br)C(=O)C(=O)c2c(C(=O)c3ccc4c(c3)OCCO4)coc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 6/20 0.50
▸ MAOB P27338 3/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSP90AA1 P07900 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
SCHEMBL300003 0.90 PDF (0.61) PDFMAOBMAPTNPSR1MEN1
SCHEMBL13076829 0.87 PDF (0.53) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL13076835 0.83 MAPT (0.50) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL299714 0.83 PDF (0.61) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL805353 0.82 KDM4E (0.41) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL13077268 0.80 PDF (0.53) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL16994984 0.78 MAPT (0.64) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL290707 0.78 PDF (0.61) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL16994964 0.78 PDF (0.81) PDFMAPTNPSR1MEN1KMT2A
SCHEMBL13076501 0.76 MAPT (0.50) PDFMAPTNPSR1MEN1KMT2A

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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