SCHEMBL20171512

SCHEMBL20171512

CCCC(NC(=O)/C=C/c1cccc(Br)n1)c1ccc(OCCOCCOCCNC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 5/20 0.44
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
UTS2R Q9UKP6 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GPR88 Q9GZN0 3/20 0.33

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
SCHEMBL864621 0.88 USP9X (0.44) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL864620 0.88 USP9X (0.44) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL10125036 0.84 USP9X (0.40) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL865270 0.77 SORT1 (0.48)
SCHEMBL23818359 0.76 CRBN (0.34) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL882298 0.73 USP9X (0.55) USP9XUCHL1USP5ALDH1A1FAAH
SCHEMBL882300 0.72 EGFR (0.46)
SCHEMBL864756 0.72 USP9X (0.68) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL864757 0.72 USP9X (0.68) USP9XUCHL1USP5CHRNB2CHRNA4
SCHEMBL10124900 0.71 USP9X (0.78) USP9XUCHL1USP5CHRNB2CHRNA4

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