SCHEMBL874550

SCHEMBL874550

N#C/C(=C\c1cccc(F)n1)C(=O)NCCCCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
USP9X Q93008 5/20 0.43
EGFR P00533 3/20 0.40
MAPK1 P28482 2/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 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
SCHEMBL874244 0.93 KMT2A (0.54) KMT2AGAAUSP9XMAPK1KDM4E
SCHEMBL874086 0.83 ALDH1A1 (0.41) KMT2AGAAUSP9XEGFRMAPK1
SCHEMBL874284 0.81 EGFR (0.59) KMT2AGAAUSP9XEGFRMAPK1
SCHEMBL864701 0.78 USP9X (0.68) KMT2AGAAUSP9XLTA4HKDM4E
SCHEMBL864702 0.78 USP9X (0.68) KMT2AGAAUSP9XLTA4HKDM4E
SCHEMBL882307 0.78 USP9X (0.67) KMT2AGAAUSP9XKDM4EALDH1A1
SCHEMBL882302 0.76 USP9X (0.63) KMT2AGAAUSP9XMEN1HRH3
SCHEMBL873696 0.75 USP9X (0.52) KMT2AGAAUSP9XEGFRMAPK1
SCHEMBL882294 0.74 USP9X (0.63) KMT2AGAAUSP9XKDM4EMEN1
SCHEMBL874558 0.74 USP9X (0.51) KMT2AGAAUSP9XEGFRMAPK1

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