SCHEMBL290499

SCHEMBL290499

O=C(c1ccc([N+](=O)[O-])cc1)c1coc2c(Br)c(Br)c(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
IGFBP3 P17936 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SRD5A2 P31213 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL290225 0.83 PTGS2 (0.52) PTGS2MEN1KMT2ASIRT1CASP3
SCHEMBL290073 0.78 PTGS2 (0.52) PTGS2IGFBP3MEN1KMT2ASIRT1
SCHEMBL290798 0.74 MAPT (0.43) PTGS2MEN1KMT2ASIRT1CASP3
SCHEMBL289146 0.72 RAB9A (0.45) PTGS2MEN1KMT2ASIRT1CASP3
SCHEMBL289028 0.71 SRD5A2 (0.44) PTGS2MEN1KMT2ASIRT1SRD5A2
SCHEMBL299691 0.70 PTGS2 (0.39) PTGS2MEN1KMT2ASIRT1CASP3
SCHEMBL9489732 0.68 SRD5A2 (0.54) MEN1KMT2ASRD5A2LMNAGAA
SCHEMBL26927727 0.67 MEN1 (0.60) MEN1KMT2ACTDSP1SRD5A2LMNA
SCHEMBL289781 0.67 PDF (0.65) MEN1KMT2ACTDSP1CASP3SENP8
SCHEMBL975118 0.66 SRD5A2 (0.83) SRD5A2LMNAGAAALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959898-A1 4,5-DIOXO-NAPHTHO[1,2-b]FURANS AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2015-12-30 EP disclosed
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 EP disclosed
EP-2427057-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2012-03-14 EP disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO disclosed