SCHEMBL5593985

SCHEMBL5593985

CN1CCN(c2cc3[nH]nc(C=Cc4cccc([N+](=O)[O-])c4)c3cc2NS(C)(=O)=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.66
AURKA O14965 9/20 0.66
HRH4 Q9H3N8 1/20 0.47
MET P08581 2/20 0.42
HTR6 P50406 1/20 0.40
WDR5 P61964 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
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
SCHEMBL5593700 0.93 AURKB (0.65) AURKBAURKAHRH4MAPTALDH1A1
SCHEMBL5593704 0.93 AURKB (0.65) AURKBAURKAHRH4MAPTALDH1A1
SCHEMBL5594049 0.91 AURKB (0.57) AURKBAURKAMAPTALDH1A1L3MBTL1
SCHEMBL5594047 0.91 AURKB (0.57) AURKBAURKAMAPTALDH1A1L3MBTL1
SCHEMBL5593672 0.86 AURKB (0.69) AURKBAURKA
SCHEMBL5593800 0.84 AURKB (0.70) AURKBAURKAALDH1A1
SCHEMBL5593859 0.80 AURKB (0.62) AURKBAURKAWDR5
SCHEMBL5603972 0.80 AURKB (0.62) AURKBAURKAWDR5
SCHEMBL5594028 0.79 AURKB (0.69) AURKBAURKAMAPTALDH1A1L3MBTL1
SCHEMBL5594031 0.79 AURKB (0.69) AURKBAURKAMAPTALDH1A1L3MBTL1

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