SCHEMBL20171600

SCHEMBL20171600

CCCC(NC(=O)/C(C#N)=C/c1cccc(C)n1)c1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.68
USP24 Q9UPU5 1/20 0.59
UCHL1 P09936 1/20 0.53
USP5 P45974 1/20 0.53
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL882582 0.92 USP9X (0.66) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882207 0.92 USP9X (0.66) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171592 0.91 USP9X (0.82) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171516 0.91 USP9X (0.59) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL864702 0.85 USP9X (0.68) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL864701 0.85 USP9X (0.68) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171608 0.84 USP9X (0.59) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882307 0.84 USP9X (0.67) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL10124816 0.84 USP9X (0.67) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL882199 0.84 USP9X (0.67) 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