SCHEMBL16647252

SCHEMBL16647252

CC(C)CCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 6/20 0.88
USP24 Q9UPU5 1/20 0.88
KMT2A Q03164 4/20 0.49
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ACACB O00763 1/20 0.41
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR3C1 P04150 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL29376701 0.93 USP9X (1.00) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL16647263 0.93 USP9X (1.00) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL17986430 0.93 USP9X (1.00) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL18017556 0.93 USP9X (0.75) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL16647236 0.89 USP9X (0.82) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL23171163 0.86 USP9X (0.76) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL18017557 0.86 USP9X (0.86) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL18017555 0.86 USP9X (0.86) USP9XUSP24KMT2ACACNA1BAPBA1
SCHEMBL18017561 0.82 USP9X (0.70) USP9XUSP24KMT2AGAAKDM4E
SCHEMBL18017565 0.78 USP9X (0.73) USP9XUSP24KMT2AGAAACACB

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