SCHEMBL20171593

SCHEMBL20171593

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.48
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
USP24 Q9UPU5 1/20 0.40
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SLC2A1 P11166 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL20171606 0.91 USP9X (0.46) USP9XUCHL1USP5USP24SLC2A1
SCHEMBL20171596 0.88 USP9X (0.56) USP9XUCHL1USP5USP24KDM4E
SCHEMBL20171649 0.87 USP9X (0.49) USP9XUCHL1USP5USP24LMNA
SCHEMBL20171608 0.86 USP9X (0.59) USP9XUCHL1USP5USP24LMNA
SCHEMBL20171591 0.85 USP9X (0.54) USP9XUCHL1USP5USP24MAPT
SCHEMBL20171645 0.83 USP9X (0.60) USP9XUCHL1USP5USP24ALDH1A1
SCHEMBL882298 0.83 USP9X (0.55) USP9XUCHL1USP5USP24ALDH1A1
SCHEMBL20171516 0.82 USP9X (0.59) USP9XUCHL1USP5USP24KMT2A
SCHEMBL20171582 0.82 USP9X (0.58) USP9XUCHL1USP5USP24LMNA
SCHEMBL20171652 0.81 USP9X (0.45) USP9XUCHL1USP5USP24

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