SCHEMBL874284

SCHEMBL874284

N#CC(=Cc1cccc(F)n1)C(=O)NCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 5/20 0.59
MAPK1 P28482 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2D6 P10635 3/20 0.59
ALOX15 P16050 3/20 0.59
ALOX12 P18054 3/20 0.59
RECQL P46063 3/20 0.59
BLM P54132 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.54

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
SCHEMBL873592 0.87 EGFR (0.59) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL1934787 0.87 USP9X (0.68) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL874086 0.81 ALDH1A1 (0.41) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL874550 0.81 KMT2A (0.45) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL7374065 0.81 EGFR (0.77) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL7372771 0.80 EGFR (0.72) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL874963 0.79 USP9X (0.62) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL1934987 0.79 USP9X (0.72) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL1934789 0.79 ALDH1A1 (0.56) EGFRALDH1A1MAPTKDM4EHPGD
SCHEMBL874244 0.79 KMT2A (0.54) ALDH1A1MAPTKDM4EMAPK1MEN1

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