SCHEMBL10187451

SCHEMBL10187451

Bc1cc(NCCN(C)C)cc(/C=C(\C#N)C(=O)NC(CCC)c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.59
UCHL1 P09936 1/20 0.57
USP5 P45974 1/20 0.57
STAT3 P40763 1/20 0.40
USP24 Q9UPU5 1/20 0.37
TACR3 P29371 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
RGS12 O14924 2/20 0.35
GMNN O75496 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
ALOX12 P18054 2/20 0.35
NFKB1 P19838 2/20 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
SCHEMBL882594 0.90 USP9X (0.67) USP9XUCHL1USP5STAT3USP24
SCHEMBL10124840 0.82 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL13349344 0.81 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL17986432 0.75 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL864117 0.75 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL23171294 0.75 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL864115 0.75 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL16647256 0.75 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL17986431 0.75 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL864116 0.75 USP9X (0.78) USP9XUCHL1USP5STAT3USP24

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
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed