SCHEMBL16647236

SCHEMBL16647236

N#C/C(=C\c1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 6/20 0.82
USP24 Q9UPU5 1/20 0.82
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.47
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPC1 O15118 1/20 0.42
ESR1 P03372 2/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.39
EGFR P00533 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 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
SCHEMBL18017561 0.93 USP9X (0.70) USP9XUSP24KMT2AGAAESR1
SCHEMBL29376701 0.90 USP9X (1.00) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL17986430 0.90 USP9X (1.00) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL16647263 0.90 USP9X (1.00) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL16647252 0.89 USP9X (0.88) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL23171163 0.89 USP9X (0.76) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL18017557 0.83 USP9X (0.86) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL18017555 0.83 USP9X (0.86) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL18017556 0.82 USP9X (0.75) USP9XUSP24KMT2AGAACACNA1B
SCHEMBL18017565 0.77 USP9X (0.73) USP9XUSP24KMT2AGAAESR1

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
US-9868736-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-01-16 US disclosed
WO-2015054555-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-04-16 WO disclosed