SCHEMBL20171538

SCHEMBL20171538

C=C(NC(CCC)c1ccc(OCCNC)cc1)/C(C#N)=C/c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.43
USP24 Q9UPU5 1/20 0.42
UCHL1 P09936 1/20 0.37
USP5 P45974 1/20 0.37
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GPR88 Q9GZN0 4/20 0.32
SLC2A1 P11166 2/20 0.31
CYP2D6 P10635 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
SCHEMBL882277 0.90 USP9X (0.52) USP9XUSP24UCHL1USP5GPR88
SCHEMBL10124876 0.82 USP9X (0.54) USP9XUSP24UCHL1USP5GPR88
SCHEMBL20171593 0.80 USP9X (0.48) USP9XUSP24UCHL1USP5CHRNB2
SCHEMBL20171606 0.79 USP9X (0.46) USP9XUSP24UCHL1USP5GPR88
SCHEMBL20171590 0.76 USP9X (0.40) USP9XUSP24UCHL1USP5GPR88
SCHEMBL20171652 0.75 USP9X (0.45) USP9XUSP24UCHL1USP5
SCHEMBL20171608 0.73 USP9X (0.59) USP9XUSP24UCHL1USP5CHRNB2
SCHEMBL882573 0.73 USP9X (0.67) USP9XUSP24UCHL1USP5
SCHEMBL20171649 0.73 USP9X (0.49) USP9XUSP24UCHL1USP5CHRNB2
SCHEMBL882194 0.73 USP9X (0.58) USP9XUSP24UCHL1USP5GPR88

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