SCHEMBL21592386

SCHEMBL21592386

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

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 11/20 0.85
UCHL1 P09936 1/20 0.85
USP5 P45974 1/20 0.85
STAT3 P40763 1/20 0.61
USP24 Q9UPU5 1/20 0.42
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CTH P32929 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
SCHEMBL864886 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3USP24
SCHEMBL864885 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3USP24
SCHEMBL882501 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317671 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317669 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317674 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL864393 0.90 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL859666 0.90 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL859667 0.90 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL10124900 0.88 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-2019238886-A1 BIFUNCTIONAL MOLECULES FOR TARGETING USP14 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed