SCHEMBL20171592

SCHEMBL20171592

CCCC(NC(=O)/C(C#N)=C/c1cccc(C)n1)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.82
USP24 Q9UPU5 1/20 0.71
UCHL1 P09936 1/20 0.53
USP5 P45974 1/20 0.53
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.48
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL863519 0.92 USP9X (0.78) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL863520 0.92 USP9X (0.78) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL23171579 0.91 USP9X (0.87) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171600 0.91 USP9X (0.68) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL17986428 0.90 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL16647223 0.90 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL17986426 0.89 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL16647235 0.89 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL16647254 0.88 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL17986424 0.88 USP9X (1.00) USP9XUSP24UCHL1USP5KMT2A

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