SCHEMBL882295

SCHEMBL882295

CCCC(NC(=O)/C(C#N)=C/c1cccc(F)n1)c1ccc(OCCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.56
UCHL1 P09936 1/20 0.56
USP5 P45974 1/20 0.56
USP24 Q9UPU5 1/20 0.48
STAT3 P40763 1/20 0.40
FAAH O00519 4/20 0.36
GPR88 Q9GZN0 2/20 0.35

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
SCHEMBL882205 0.96 USP9X (0.57) USP9XUCHL1USP5USP24STAT3
SCHEMBL10124917 0.93 USP9X (0.61) USP9XUCHL1USP5USP24STAT3
SCHEMBL882305 0.93 USP9X (0.54) USP9XUCHL1USP5USP24STAT3
SCHEMBL10124903 0.92 USP9X (0.61) USP9XUCHL1USP5USP24STAT3
SCHEMBL10124902 0.91 USP9X (0.59) USP9XUCHL1USP5USP24STAT3
SCHEMBL20171604 0.90 USP9X (0.47) USP9XUCHL1USP5USP24FAAH
SCHEMBL864787 0.90 USP9X (0.56) USP9XUCHL1USP5USP24STAT3
SCHEMBL864788 0.90 USP9X (0.56) USP9XUCHL1USP5USP24STAT3
SCHEMBL16274452 0.90 USP9X (0.58) USP9XUCHL1USP5USP24STAT3
SCHEMBL882194 0.89 USP9X (0.58) USP9XUCHL1USP5USP24STAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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