SCHEMBL2599653

SCHEMBL2599653

O=C(O)COc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PKM P14618 1/20 0.59
ALDH1A1 P00352 5/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.50
MAPT P10636 2/20 0.49
HSPB1 P04792 2/20 0.48
HTT P42858 2/20 0.48
AKR1B1 P15121 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10508964 1.00 MEN1 (0.64) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL5905879 0.88 ALDH1A1 (0.62) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL22660234 0.85 KDM4E (0.48) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL16388497 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10788762 0.83 MEN1 (0.66) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL4261703 0.82 MAPT (0.51) PKMALDH1A1MAPTHTTKDM4E
SCHEMBL4186418 0.82 MEN1 (0.64) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL1332207 0.82 KDM4E (0.64) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL9863292 0.81 MEN1 (0.56) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL29537950 0.81 MEN1 (0.56) MEN1KMT2APKMALDH1A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 EP disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP disclosed