SCHEMBL4552267

SCHEMBL4552267

CC(=O)Oc1cnc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.54
MMP9 P14780 6/20 0.54
MMP8 P22894 6/20 0.54
MMP13 P45452 6/20 0.54
SIRT2 Q8IXJ6 2/20 0.49
AMY1A P0DUB6 2/20 0.48
CHEK2 O96017 5/20 0.47
TRPV1 Q8NER1 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL4551984 0.86 TRPV1 (0.50) SIRT2AMY1ACHEK2TRPV1HDAC6
SCHEMBL4551530 0.86 AURKA (0.52) CHEK2HDAC6PTGDR2
SCHEMBL4151906 0.85 MMP2 (0.52) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL15252345 0.84 MMP2 (0.49) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4160495 0.83 MMP2 (0.71) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4149005 0.82 MMP2 (0.69) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL15252712 0.82 MMP2 (0.51) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL15252341 0.79 MMP2 (0.46) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4140020 0.79 MMP13 (0.52) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL4157988 0.79 MMP13 (0.52) MMP2MMP9MMP8MMP13SIRT2

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-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP disclosed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 WO disclosed