SCHEMBL28080654

SCHEMBL28080654

O=C1C(=O)c2cccc(Br)c2-c2cc(Br)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.63
S100A4 P26447 4/20 0.55
MEN1 O00255 3/20 0.49
POLB P06746 3/20 0.49
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
BCL2 P10415 2/20 0.47
MCL1 Q07820 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL1325322 0.89 PTPRC (0.58) PTPRCS100A4MEN1POLBHTT
SCHEMBL6905719 0.87 PTPRC (0.61) PTPRCS100A4MEN1POLBHTT
SCHEMBL6907201 0.87 PTPRC (0.61) PTPRCS100A4MEN1POLBHTT
SCHEMBL24730388 0.85 PTPRC (0.58) PTPRCS100A4MEN1POLBHTT
SCHEMBL30987852 0.78 PTPRC (1.00) PTPRCS100A4MEN1POLBHTT
SCHEMBL3948979 0.78 PTPRC (0.91) PTPRCS100A4MEN1POLBHTT
SCHEMBL29689751 0.78 PTPRC (0.91) PTPRCS100A4MEN1POLBHTT
SCHEMBL6259656 0.78 PTPRC (1.00) PTPRCS100A4MEN1POLBHTT
SCHEMBL2079031 0.78 PTPRC (0.57) PTPRCS100A4MEN1POLBHTT
SCHEMBL29679284 0.78 PTPRC (0.57) PTPRCS100A4MEN1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859792-A Electroluminescent metal complexes with dibenzo[f,h]quinoxalines 巴斯夫欧洲公司 2016-08-17 CN disclosed