SCHEMBL7984790

SCHEMBL7984790

CC(=O)OCCc1cccc2c1C(=O)c1nc3nonc3nc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.51
TDP2 O95551 6/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
USP8 P40818 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
APP P05067 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
SNCA P37840 1/20 0.32
BRCA1 P38398 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7984591 0.74 PTGES (0.61) PTGESTDP2USP8MAPTMEN1
SCHEMBL7984632 0.72 USP8 (0.60) PTGESUSP8MAPTMEN1MAPK1
SCHEMBL7983849 0.72 PTGES (0.57) PTGESUSP8MAPTMEN1MAPK1
SCHEMBL7996719 0.71 PTGES (0.64) PTGESUSP8MAPTMEN1KMT2A
SCHEMBL23876437 0.68 PTGES (1.00) PTGESMAPTMEN1MAPK1KMT2A
SCHEMBL7984832 0.66 PTGES (0.63) PTGESMAPTMEN1MAPK1KMT2A
SCHEMBL830132 0.65 PREP (0.41) SIRT2RXFP1ALDH1A1GAA
SCHEMBL7984580 0.65 RAB9A (0.60) PTGESUSP8MAPTMEN1MAPK1
SCHEMBL29432454 0.65 RAB9A (0.60) PTGESUSP8MAPTMEN1MAPK1
SCHEMBL8002271 0.64 ALDH1A1 (0.64) MEN1KMT2AAPPRXFP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed