SCHEMBL15085668

SCHEMBL15085668

Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
POLB P06746 2/20 0.53
TTR P02766 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
DUSP26 Q9BV47 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 4/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL16239336 0.92 MAPT (0.50) MAPTPOLBTTRGFERKDM4E
SCHEMBL1790490 0.90 MAPT (0.63) MAPTPOLBTTRGFERKDM4E
SCHEMBL1792162 0.87 MAPT (0.64) MAPTPOLBTTRKDM4EALDH1A1
SCHEMBL1790293 0.85 ALDH1A1 (0.64) MAPTPOLBKDM4EALDH1A1MEN1
SCHEMBL1794991 0.85 MEN1 (0.61) MAPTPOLBTTRGFERKDM4E
SCHEMBL16238872 0.82 MAPT (0.55) MAPTPOLBTTRGFERKDM4E
SCHEMBL1791795 0.80 TTR (0.76) MAPTPOLBTTRGFERKDM4E
SCHEMBL16238909 0.80 TTR (0.69) MAPTPOLBTTRGFERKDM4E
SCHEMBL1792573 0.79 MAPT (0.60) MAPTPOLBTTRKDM4EALDH1A1
SCHEMBL1790836 0.78 MAPT (0.64) MAPTPOLBTTRKDM4EALDH1A1

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
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed