SCHEMBL15435429

SCHEMBL15435429

NOC1(CC(=O)c2ccc(Cl)cc2)C(=O)Nc2c(Cl)ccc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLI1 Q01543 5/20 0.54
EWSR1 Q01844 5/20 0.54
ERG P11308 1/20 0.54
ETV1 P50549 1/20 0.54
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
GSK3B P49841 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CBX7 O95931 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13253318 0.79 FLI1 (0.77) FLI1EWSR1ERGETV1KMT2A
SCHEMBL15337262 0.78 FLI1 (0.74) FLI1EWSR1ERGETV1KMT2A
SCHEMBL17669239 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL13253331 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL13253326 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL17679856 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL29810788 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL17679855 0.72 FLI1 (0.73) FLI1EWSR1ERGETV1KMT2A
SCHEMBL19419582 0.71 FLI1 (0.74) FLI1EWSR1ERGETV1KMT2A
SCHEMBL3486433 0.70 FLI1 (0.75) FLI1EWSR1ERGETV1KMT2A

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-2687206-A1 Targeting of EWS-FLI1 as anti-tumor therapy Georgetown University (US) 2014-01-22 EP disclosed