SCHEMBL12292679

SCHEMBL12292679

CO[N+](=O)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ PIK3CG P48736 2/20 0.60
▸ PIK3CD O00329 1/20 0.60
▸ PIK3CA P42336 1/20 0.60
▸ PIK3CB P42338 1/20 0.60
▸ HTT P42858 2/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1793548 0.87 MEN1 (0.81) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL13452272 0.87 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL14546814 0.85 MAPT (0.66) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL6995384 0.85 PIK3CD (0.65) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL12292669 0.82 MEN1 (0.52) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL15721518 0.81 MEN1 (0.64) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL190100 0.80 MEN1 (0.80) MAPTMEN1KMT2APIK3CGPIK3CD
SCHEMBL188640 0.80 PIK3CD (0.69) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL1791272 0.80 MEN1 (0.76) MAPTMEN1KMT2AL3MBTL1PIK3CG
SCHEMBL15256361 0.79 MEN1 (0.64) MAPTMEN1KMT2AL3MBTL1PIK3CG

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
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 — — EP disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 — — WO disclosed
Send feedback