SCHEMBL6992427

SCHEMBL6992427

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2ccccc2c1)c1cccc(NO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.65
KMT2A Q03164 12/20 0.65
MAPT P10636 11/20 0.65
KDM4E B2RXH2 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
LMNA P02545 5/20 0.65
HPGD P15428 4/20 0.65
POLB P06746 4/20 0.65
GAA P10253 3/20 0.65
GLA P06280 1/20 0.65
MAPK1 P28482 1/20 0.65
CTNNB1 P35222 1/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
RECQL P46063 1/20 0.55
CDC25A P30304 1/20 0.54
CDC25B P30305 1/20 0.54
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12292204 0.90 MAPT (0.62) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL14050652 0.89 MEN1 (0.62) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL14050559 0.88 MAPT (0.53) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3139427 0.87 MAPT (0.74) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL12292974 0.86 MEN1 (0.72) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL15256361 0.86 MEN1 (0.64) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL14050666 0.86 MAPT (0.56) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL10198904 0.86 MAPT (0.56) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL14050580 0.86 MAPT (0.66) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL15095971 0.85 MEN1 (0.70) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
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-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
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed