SCHEMBL20171649

SCHEMBL20171649

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.49
UCHL1 P09936 1/20 0.45
USP5 P45974 1/20 0.45
USP24 Q9UPU5 1/20 0.41
ESR1 P03372 1/20 0.36
GPR88 Q9GZN0 1/20 0.33
GBA1 P04062 2/20 0.33
FAAH O00519 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 0.90 USP9X (0.58) USP9XUCHL1USP5USP24GBA1
SCHEMBL20171604 0.87 USP9X (0.47) USP9XUCHL1USP5USP24ESR1
SCHEMBL20171593 0.87 USP9X (0.48) USP9XUCHL1USP5USP24GPR88
SCHEMBL20171645 0.85 USP9X (0.60) USP9XUCHL1USP5USP24
SCHEMBL20171582 0.84 USP9X (0.58) USP9XUCHL1USP5USP24ESR1
SCHEMBL20171516 0.84 USP9X (0.59) USP9XUCHL1USP5USP24
SCHEMBL20171570 0.83 USP9X (0.50) USP9XUCHL1USP5USP24FAAH
SCHEMBL20171596 0.83 USP9X (0.56) USP9XUCHL1USP5USP24
SCHEMBL20171589 0.83 USP9X (0.57) USP9XUCHL1USP5USP24STAT3
SCHEMBL20171591 0.82 USP9X (0.54) USP9XUCHL1USP5USP24MAPT

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