SCHEMBL4552145

SCHEMBL4552145

Cc1cnc(-c2ccc(-c3nc4c(Br)cc(Br)cc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AURKA O14965 3/20 0.40
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38

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
SCHEMBL4552457 0.87 NPBWR1 (0.44) GAAMGAMSIMGAM2KDM4E
SCHEMBL4143887 0.84 DHODH (0.41) DHODHGAAMGAMSIMGAM2
SCHEMBL4190228 0.82 DHODH (0.44) DHODHGAAMGAMSIMGAM2
SCHEMBL4146387 0.77 DHODH (0.36) DHODHGAAKDM4EMEN1MITF
SCHEMBL4147758 0.74 DHODH (0.36) DHODHGAAKDM4EMEN1MITF
SCHEMBL15252732 0.74 DHODH (0.38) DHODHPKN1PKN2RHEBMMP2
SCHEMBL15252885 0.73 DHODH (0.40) DHODHPKN1PKN2
SCHEMBL4149283 0.73 DHODH (0.44) DHODHPKN1PKN2MMP2MMP9
SCHEMBL4146784 0.73 MMP2 (0.42) DHODHKDM4EALDH1A1LMNAMAPT
SCHEMBL4177377 0.73 CBFB (0.43) DHODHKDM4ELMNAMAPTKMT2A

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