SCHEMBL20171582

SCHEMBL20171582

C=C(NC(CCC)c1ccc(OCCN2CC[S+]([O-])CC2)cc1)/C(C#N)=C/c1cccc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.58
USP24 Q9UPU5 1/20 0.51
UCHL1 P09936 1/20 0.41
USP5 P45974 1/20 0.41
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ESR1 P03372 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20171591 0.96 USP9X (0.54) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171645 0.92 USP9X (0.60) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171516 0.90 USP9X (0.59) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171596 0.88 USP9X (0.56) USP9XUSP24UCHL1USP5HRH3
SCHEMBL20171644 0.87 USP9X (0.55) USP9XUSP24UCHL1USP5HRH3
SCHEMBL20171649 0.84 USP9X (0.49) USP9XUSP24UCHL1USP5ESR1
SCHEMBL20171592 0.83 USP9X (0.82) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171559 0.82 USP9X (0.56) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171593 0.82 USP9X (0.48) USP9XUSP24UCHL1USP5KMT2A
SCHEMBL20171600 0.81 USP9X (0.68) 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