SCHEMBL8289031

SCHEMBL8289031

Bc1cccc(/C=C(\C#N)C(=O)N[C@@H](CC)c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 8/20 0.66
UCHL1 P09936 1/20 0.66
USP5 P45974 1/20 0.66
STAT3 P40763 1/20 0.57
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 3/20 0.41
RGS12 O14924 2/20 0.41
GMNN O75496 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 2/20 0.41
NFKB1 P19838 2/20 0.41

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
SCHEMBL13349344 0.92 USP9X (0.78) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL14402866 0.88 USP9X (0.59) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315700 0.87 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315703 0.87 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315701 0.87 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315698 0.87 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL13474839 0.87 USP9X (0.58) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL882591 0.83 USP9X (0.49) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL882577 0.81 USP9X (0.59) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL13474789 0.80 STAT3 (0.53) USP9XUCHL1USP5STAT3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008005954-A2 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed
WO-2005058829-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-06-30 WO disclosed