SCHEMBL874086

SCHEMBL874086

CCN(CC)CCOc1ccc(CCCCNC(=O)/C(C#N)=C/c2cccc(F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
MAPK1 P28482 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
EGFR P00533 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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 0.90 USP9X (0.51) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL874550 0.83 KMT2A (0.45) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL873696 0.82 USP9X (0.52) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL874284 0.81 EGFR (0.59) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL874244 0.81 KMT2A (0.54) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL864788 0.79 USP9X (0.56) ALDH1A1KMT2AUSP9XKDR
SCHEMBL864787 0.79 USP9X (0.56) ALDH1A1KMT2AUSP9XKDR
SCHEMBL12490531 0.76 USP9X (0.55) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL874003 0.76 USP9X (0.55) ALDH1A1HPGDMAPK1KDM4EMAPT
SCHEMBL873543 0.76 USP9X (0.55) ALDH1A1HPGDMAPK1KDM4EMAPT

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