SCHEMBL8773161

SCHEMBL8773161

O=C1C(=O)c2ccc(Br)cc2C=C1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.56
PTPRC P08575 1/20 0.48
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 1/20 0.40
METAP1 P53582 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL31619922 0.78 S100A4 (0.48) S100A4PTPRCBCL2MCL1MAPK1
SCHEMBL1500033 0.78 S100A4 (0.48) S100A4PTPRCBCL2MCL1MAPK1
SCHEMBL31557620 0.77 S100A4 (0.44) S100A4PTPRCBCL2MCL1MAPK1
SCHEMBL29277842 0.77 S100A4 (0.44) S100A4PTPRCBCL2MCL1MAPK1
SCHEMBL4190455 0.74 S100A4 (0.49) S100A4PTPRCBCL2MCL1HSP90AA1
SCHEMBL29650595 0.74 MEN1 (0.57) S100A4PTPRCMAPK1MEN1MAPT
SCHEMBL4337875 0.74 MEN1 (0.57) S100A4PTPRCMAPK1MEN1MAPT
SCHEMBL27475093 0.73 S100A4 (0.48) S100A4MAPK1MEN1MAPTKMT2A
SCHEMBL29594014 0.72 S100A4 (0.80) S100A4PTPRCBCL2MCL1MAPK1
SCHEMBL29514452 0.72 S100A4 (1.00) S100A4PTPRCBCL2MCL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed