SCHEMBL5594047

SCHEMBL5594047

CS(=O)(=O)Nc1cc2c(/C=C/c3cccc([N+](=O)[O-])c3)n[nH]c2cc1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.57
AURKA O14965 6/20 0.57
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5594049 1.00 AURKB (0.57) AURKBAURKAALDH1A1L3MBTL1LMNA
SCHEMBL5593700 0.93 AURKB (0.65) AURKBAURKAALDH1A1L3MBTL1LMNA
SCHEMBL5593704 0.93 AURKB (0.65) AURKBAURKAALDH1A1L3MBTL1LMNA
SCHEMBL5593985 0.91 AURKB (0.66) AURKBAURKAALDH1A1L3MBTL1POLB
SCHEMBL5594004 0.87 AURKB (0.60) AURKBAURKA
SCHEMBL5594008 0.87 AURKB (0.60) AURKBAURKA
SCHEMBL14538848 0.84 AURKA (0.59) AURKBAURKAALDH1A1L3MBTL1LMNA
SCHEMBL5616552 0.84 AURKB (0.61) AURKBAURKATDP1
SCHEMBL5593744 0.82 AURKB (0.62) AURKBAURKA
SCHEMBL5593748 0.82 AURKB (0.62) AURKBAURKA

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO claimed