SCHEMBL14050580

SCHEMBL14050580

COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NO)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
KDM4E B2RXH2 4/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.59
PIK3CD O00329 5/20 0.58
PIK3CG P48736 4/20 0.58
PIK3CA P42336 2/20 0.58
PIK3CB P42338 2/20 0.58
PRKDC P78527 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
POLB P06746 1/20 0.55
GFER P55789 1/20 0.55
TNF P01375 1/20 0.54
LMNA P02545 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL188925 0.92 PIK3CD (0.70) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL12292204 0.89 MAPT (0.62) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14050652 0.89 MEN1 (0.62) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14050635 0.87 PIK3CD (0.72) MAPTMEN1KMT2APIK3CDPIK3CG
SCHEMBL15095961 0.87 MAPT (0.67) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL3137612 0.86 MAPT (0.79) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL14050666 0.86 MAPT (0.56) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL10198904 0.86 MAPT (0.56) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL15256361 0.86 MEN1 (0.64) MAPTMEN1KMT2AKDM4EHTT
SCHEMBL6992427 0.86 MEN1 (0.65) MAPTMEN1KMT2AKDM4EHTT

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-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed