SCHEMBL4564728

SCHEMBL4564728

NC(=O)Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
KDM4E B2RXH2 6/20 0.68
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
GAA P10253 6/20 0.53
CTNNB1 P35222 1/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
TTR P02766 1/20 0.51
PIK3CA P42336 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIM1 P11309 1/20 0.50

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
SCHEMBL4466855 0.89 MAPT (0.71) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL1789260 0.85 MAPT (0.77) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL1791384 0.85 MAPT (0.76) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL1791160 0.83 CDC25A (0.77) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL1789236 0.81 MAPT (1.00) MAPTKDM4EGAACTNNB1MEN1
SCHEMBL16239334 0.81 MAPT (0.70) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL188789 0.76 MEN1 (0.73) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL4342354 0.75 PIK3CG (0.64) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1788909 0.74 PIK3CD (0.70) MAPTKDM4ECDC25ACDC25BGAA
SCHEMBL1794806 0.74 TTR (0.82) MAPTKDM4EGAAMEN1KMT2A

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