SCHEMBL15067957

SCHEMBL15067957

COC(=O)c1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+](=O)[O-].O=C(Cl)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ EPAS1 Q99814 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL15770914 0.96 HSPB1 (0.51) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL26631827 0.86 MAPT (0.46) TDP1L3MBTL1MAPTGAAHTT
SCHEMBL26631738 0.86 MAPT (0.43) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL15067230 0.83 HSPB1 (0.54) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL20155384 0.82 HSPB1 (0.53) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL26631729 0.80 ALDH1A1 (0.46) TDP1L3MBTL1MAPTHTTMEN1
SCHEMBL29634822 0.79 HPGD (0.52) TDP1L3MBTL1MAPTMEN1POLB
SCHEMBL28496978 0.79 HSPB1 (0.60) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL16046439 0.78 HSPB1 (0.66) HSPB1TDP1L3MBTL1MAPTGAA
SCHEMBL16049146 0.78 HSPB1 (0.62) HSPB1TDP1L3MBTL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013828-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 — — EP disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 — — EP disclosed
WO-2014206345-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
WO-2014206150-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-12-31 — — WO disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 — — EP disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 — — WO disclosed
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