SCHEMBL20171559

SCHEMBL20171559

C=C(NC(CCC)c1ccc(OCCN2CCNCC2)cc1)/C(C#N)=C/c1cccc(F)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.56
USP24 Q9UPU5 1/20 0.49
UCHL1 P09936 1/20 0.41
USP5 P45974 1/20 0.41
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
SYK P43405 1/20 0.35
LTA4H P09960 1/20 0.34
CTSC P53634 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL20171516 0.92 USP9X (0.59) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882207 0.91 USP9X (0.66) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171645 0.84 USP9X (0.60) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL864702 0.84 USP9X (0.68) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL864701 0.84 USP9X (0.68) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL863520 0.84 USP9X (0.78) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL863519 0.84 USP9X (0.78) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882307 0.84 USP9X (0.67) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882199 0.84 USP9X (0.67) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171604 0.83 USP9X (0.47) 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