SCHEMBL4717260

SCHEMBL4717260

CC(=O)OSc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 6/20 0.56
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PDE7A Q13946 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TBXA2R P21731 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 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
SCHEMBL27859313 0.81 HSPB1 (0.82) HSPB1MEN1KMT2AGAAPKM
SCHEMBL4717656 0.81 PARP10 (0.37) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL3139234 0.79 KMT2A (0.74) HSPB1MEN1KMT2AGAAPKM
SCHEMBL3131710 0.79 HSPB1 (0.68) HSPB1MEN1KMT2AGAAPKM
SCHEMBL31287841 0.79 HSPB1 (0.82) HSPB1MEN1KMT2AGAAPKM
SCHEMBL5172280 0.78 HSPB1 (0.56) HSPB1MEN1KMT2AGAAPKM
SCHEMBL5167784 0.77 HSPB1 (0.62) HSPB1MEN1KMT2AGAAPKM
SCHEMBL22069708 0.76 HSPB1 (0.68) HSPB1MEN1KMT2AGAAPKM
SCHEMBL22069702 0.76 HSPB1 (0.68) HSPB1MEN1KMT2AGAAPKM
SCHEMBL29351876 0.76 HSPB1 (0.68) HSPB1MEN1KMT2AGAAPKM

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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 — — EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
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