SCHEMBL20171590

SCHEMBL20171590

C=C(NC(CCC)c1ccc(OCCOCCN)cc1)/C(C#N)=C/c1ncncn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.40
USP24 Q9UPU5 1/20 0.40
UCHL1 P09936 1/20 0.34
USP5 P45974 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SLC2A1 P11166 2/20 0.32
GPR88 Q9GZN0 4/20 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
SCHEMBL882286 0.90 USP9X (0.48) USP9XUSP24UCHL1USP5CDK5
SCHEMBL10124889 0.83 USP9X (0.50) USP9XUSP24UCHL1USP5GPR88
SCHEMBL20171538 0.76 USP9X (0.43) USP9XUSP24UCHL1USP5SLC2A1
SCHEMBL20171593 0.75 USP9X (0.48) USP9XUSP24UCHL1USP5SLC2A1
SCHEMBL20171606 0.74 USP9X (0.46) USP9XUSP24UCHL1USP5SLC2A1
SCHEMBL20171596 0.72 USP9X (0.56) USP9XUSP24UCHL1USP5
SCHEMBL882575 0.70 USP9X (0.64) USP9XUSP24UCHL1USP5
SCHEMBL20171591 0.70 USP9X (0.54) USP9XUSP24UCHL1USP5
SCHEMBL20171649 0.69 USP9X (0.49) USP9XUSP24UCHL1USP5GPR88
SCHEMBL20171615 0.69 USP9X (0.42) USP9XUSP24UCHL1USP5

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