SCHEMBL5593704

SCHEMBL5593704

CS(=O)(=O)Nc1cc2c(C=Cc3cccc([N+](=O)[O-])c3)n[nH]c2cc1N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.65
AURKA O14965 6/20 0.65
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
NFE2L2 Q16236 1/20 0.37

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 1.00 AURKB (0.65) AURKBAURKAMAPTALDH1A1LMNA
SCHEMBL5593985 0.93 AURKB (0.66) AURKBAURKAMAPTALDH1A1POLB
SCHEMBL5594049 0.93 AURKB (0.57) AURKBAURKAMAPTALDH1A1LMNA
SCHEMBL5594047 0.93 AURKB (0.57) AURKBAURKAMAPTALDH1A1LMNA
SCHEMBL5594028 0.86 AURKB (0.69) AURKBAURKAMAPTALDH1A1POLB
SCHEMBL5594031 0.86 AURKB (0.69) AURKBAURKAMAPTALDH1A1POLB
SCHEMBL5594245 0.83 AURKB (0.70) AURKBAURKA
SCHEMBL5593672 0.79 AURKB (0.69) AURKBAURKA
SCHEMBL5594008 0.79 AURKB (0.60) AURKBAURKA
SCHEMBL5594004 0.79 AURKB (0.60) 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