SCHEMBL4458650

SCHEMBL4458650

CNc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1.COc1cc(Nc2nc3cccnc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PIK3CD O00329 5/20 0.54
PIK3CG P48736 4/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
MCL1 Q07820 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.49
PIK3C2B O00750 1/20 0.47
PIK3C2G O75747 1/20 0.47

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
SCHEMBL189113 0.94 MEN1 (0.58) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188968 0.94 MEN1 (0.58) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188992 0.88 MEN1 (0.70) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188908 0.84 MEN1 (0.68) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL189047 0.84 PIK3CD (0.71) MEN1KMT2AMAPTPIK3CDPIK3CG
SCHEMBL185689 0.83 MAPT (0.69) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL12373063 0.83 MAPT (0.66) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL2300591 0.82 PIK3CD (0.72) MEN1KMT2AMAPTPIK3CDPIK3CG
SCHEMBL188640 0.82 PIK3CD (0.69) MEN1KMT2AMAPTL3MBTL1PIK3CD
SCHEMBL188796 0.82 PIK3C2B (0.69) MEN1KMT2AMAPTPIK3CDPIK3CG

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed