SCHEMBL874963

SCHEMBL874963

N#CC(=Cc1cccc(Br)n1)C(=O)NCCCCc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 2/20 0.62
EGFR P00533 9/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL1934787 0.92 USP9X (0.68) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL874746 0.88 USP9X (0.58) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL874872 0.88 USP9X (0.58) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL875450 0.88 USP9X (0.58) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL12490531 0.85 USP9X (0.55) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL874003 0.85 USP9X (0.55) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL1934987 0.84 USP9X (0.72) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL873696 0.83 USP9X (0.52) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL21591849 0.82 USP9X (0.51) USP9XEGFRMAPTMEN1KMT2A
SCHEMBL874558 0.82 USP9X (0.51) USP9XEGFRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed