SCHEMBL10198904

SCHEMBL10198904

Bc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NO)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
POLB P06746 2/20 0.56
GFER P55789 1/20 0.56
KDM4E B2RXH2 6/20 0.55
MEN1 O00255 10/20 0.55
KMT2A Q03164 10/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CTNNB1 P35222 1/20 0.53
GAA P10253 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
TTR P02766 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
SCHEMBL12292204 0.92 MAPT (0.62) MAPTPOLBGFERKDM4EMEN1
SCHEMBL14050652 0.92 MEN1 (0.62) MAPTPOLBGFERKDM4EMEN1
SCHEMBL14050666 0.89 MAPT (0.56) MAPTPOLBGFERKDM4EMEN1
SCHEMBL15256361 0.89 MEN1 (0.64) MAPTPOLBGFERKDM4EMEN1
SCHEMBL6992427 0.86 MEN1 (0.65) MAPTPOLBGFERKDM4EMEN1
SCHEMBL14050580 0.86 MAPT (0.66) MAPTPOLBGFERKDM4EMEN1
SCHEMBL12292974 0.84 MEN1 (0.72) MAPTPOLBGFERKDM4EMEN1
SCHEMBL15256408 0.83 MAPT (0.73) MAPTPOLBGFERKDM4EMEN1
SCHEMBL14050721 0.82 MEN1 (0.79) MAPTPOLBGFERKDM4EMEN1
SCHEMBL14050559 0.82 MAPT (0.53) MAPTPOLBGFERKDM4EMEN1

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-2012006552-A1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2012-01-12 WO disclosed