SCHEMBL873696

SCHEMBL873696

CN(C)CCOc1ccc(CCCCNC(=O)/C(C#N)=C/c2cccc(Br)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 2/20 0.52
STAT3 P40763 1/20 0.44
UCHL1 P09936 1/20 0.43
USP5 P45974 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 4/20 0.42
EGFR P00533 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL874558 0.92 USP9X (0.51) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL873543 0.87 USP9X (0.55) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL12490531 0.87 USP9X (0.55) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL874003 0.87 USP9X (0.55) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL874746 0.87 USP9X (0.58) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL875450 0.87 USP9X (0.58) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL874872 0.87 USP9X (0.58) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL873684 0.86 USP9X (0.49) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL21591849 0.84 USP9X (0.51) USP9XSTAT3UCHL1USP5MAPT
SCHEMBL874963 0.83 USP9X (0.62) USP9XSTAT3UCHL1USP5MAPT

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