SCHEMBL5593679

SCHEMBL5593679

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 3/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATR Q13535 1/20 0.33
BRPF1 P55201 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5593675 0.91 MAPT (0.36) AURKAAURKBMAPTMEN1KMT2A
SCHEMBL5594265 0.77 BRPF1 (0.36) MAPTMEN1KMT2AGAATP53
SCHEMBL5593870 0.75 AURKB (0.58) AURKAAURKB
SCHEMBL5593774 0.69 AURKA (0.40) AURKAAURKBMAPTMEN1KMT2A
SCHEMBL5593778 0.67 AURKA (0.45) AURKAAURKBMAPTMEN1KMT2A
SCHEMBL5593867 0.66 AURKB (0.56) AURKAAURKB
SCHEMBL23533527 0.65 RXRA (0.42) ATR
SCHEMBL23533529 0.65 RXRA (0.42) ATR
SCHEMBL4053570 0.65 RET (0.37) MEN1KMT2ADGAT2ATR
SCHEMBL30632780 0.65 OPRK1 (0.39) DGAT2ATRMAPK1

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