SCHEMBL5593675

SCHEMBL5593675

CC(=O)Nc1cc2c(C=Cc3cccc(C(N)=O)c3)nn(C3CCCCO3)c2cc1N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.36
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
BRPF1 P55201 3/20 0.35
DGAT2 Q96PD7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATR Q13535 1/20 0.32

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
SCHEMBL5593679 0.91 AURKA (0.36) MAPTGAATP53AURKAAURKB
SCHEMBL5593867 0.76 AURKB (0.56) AURKAAURKB
SCHEMBL5594265 0.76 BRPF1 (0.36) MAPTGAATP53BRPF1DGAT2
SCHEMBL5593774 0.68 AURKA (0.40) MAPTGAAAURKAAURKBALDH1A1
SCHEMBL5593778 0.66 AURKA (0.45) MAPTAURKAAURKBALDH1A1POLB
SCHEMBL5593870 0.66 AURKB (0.58) AURKAAURKB
SCHEMBL5594245 0.65 AURKB (0.70) AURKAAURKB
SCHEMBL23533529 0.64 RXRA (0.42) ATR
SCHEMBL23533527 0.64 RXRA (0.42) ATR
SCHEMBL30632780 0.64 OPRK1 (0.39) DGAT2ATR

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 disclosed