SCHEMBL874244

SCHEMBL874244

N#C/C(=C\c1cccc(F)n1)C(=O)NCCCCc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.54
USP9X Q93008 5/20 0.51
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
ALDH1A1 P00352 2/20 0.44
USP24 Q9UPU5 1/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL874550 0.93 KMT2A (0.45) KMT2AGAAUSP9XMAPK1ALDH1A1
SCHEMBL874086 0.81 ALDH1A1 (0.41) KMT2AGAAUSP9XMAPK1LMNA
SCHEMBL23171347 0.81 USP9X (0.61) KMT2AGAAUSP9XLMNACACNA1B
SCHEMBL863520 0.79 USP9X (0.78) KMT2AGAAUSP9XCACNA1BAPBA1
SCHEMBL863519 0.79 USP9X (0.78) KMT2AGAAUSP9XCACNA1BAPBA1
SCHEMBL874284 0.79 EGFR (0.59) KMT2AGAAUSP9XMAPK1LMNA
SCHEMBL873719 0.75 POLB (0.50) KMT2AGAAMAPK1ALDH1A1KDM4E
SCHEMBL873696 0.73 USP9X (0.52) KMT2AGAAUSP9XMAPK1LMNA
SCHEMBL874558 0.72 USP9X (0.51) KMT2AGAAUSP9XMAPK1LMNA
SCHEMBL864702 0.72 USP9X (0.68) KMT2AGAAUSP9XALDH1A1USP24

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