SCHEMBL20171570

SCHEMBL20171570

CCC(NC(=O)/C(C#N)=C/c1cccc(C)n1)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.50
UCHL1 P09936 1/20 0.49
USP5 P45974 1/20 0.49
STAT3 P40763 1/20 0.42
USP24 Q9UPU5 1/20 0.42
FAAH O00519 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TACR3 P29371 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
SCHEMBL20171646 0.93 USP9X (0.58) USP9XUCHL1USP5STAT3USP24
SCHEMBL882583 0.91 USP9X (0.61) USP9XUCHL1USP5STAT3USP24
SCHEMBL20171589 0.86 USP9X (0.57) USP9XUCHL1USP5STAT3USP24
SCHEMBL863758 0.84 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL863759 0.84 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL882205 0.84 USP9X (0.57) USP9XUCHL1USP5STAT3USP24
SCHEMBL20171649 0.83 USP9X (0.49) USP9XUCHL1USP5STAT3USP24
SCHEMBL20171608 0.82 USP9X (0.59) USP9XUCHL1USP5STAT3USP24
SCHEMBL10124818 0.81 USP9X (0.68) USP9XUCHL1USP5STAT3USP24
SCHEMBL882295 0.80 USP9X (0.56) USP9XUCHL1USP5STAT3USP24

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
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed