SCHEMBL16486293

SCHEMBL16486293

O=[N+]([O-])c1cnc2cc(F)c(Br)cc2c1Cl.O=[N+]([O-])c1cnc2cc(F)c(Br)cc2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 3/20 0.36
TDO2 P48775 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IDO1 P14902 2/20 0.36
RECQL P46063 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 1/20 0.36
GPR35 Q9HC97 3/20 0.36
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL994700 0.92 TDP1 (0.36) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL16470135 0.92 MAPT (0.41) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL27650679 0.92 TDP1 (0.36) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL21099305 0.79 MAPT (0.41) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL4712057 0.79 EGFR (0.39) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL29970861 0.77 CYP1A2 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL26131871 0.77 CYP1A2 (0.37) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL26131807 0.77 CYP1A2 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29969235 0.77 CYP1A2 (0.37) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL21050767 0.76 MAPT (0.37) KDM4EMEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033343-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK Novartis AG (CH) 2016-06-22 EP disclosed
WO-2015022662-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NOVARTIS AG (CH) 2015-02-19 WO disclosed
WO-2015022664-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NOVARTIS AG (CH) 2015-02-19 WO disclosed