SCHEMBL7984591

SCHEMBL7984591

CC(=O)COc1cccc2c1C(=O)c1nc3nonc3nc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.61
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TDP2 O95551 2/20 0.38
TTR P02766 1/20 0.37
KMT2A Q03164 3/20 0.36
USP8 P40818 1/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL7994861 0.88 PTGES (0.59) PTGESTDP2TTRKMT2AMAPT
SCHEMBL7994951 0.85 PTGES (0.56) PTGESTDP2TTRKMT2AMAPT
SCHEMBL7996719 0.81 PTGES (0.64) PTGESADORA2AADORA1KMT2AUSP8
SCHEMBL7984832 0.80 PTGES (0.63) PTGESKMT2AMAPTL3MBTL1TP53
SCHEMBL7996575 0.78 PTGES (0.55) PTGESTTRKMT2AMAPTMEN1
SCHEMBL7994971 0.77 PTGES (0.59) PTGES
SCHEMBL7996440 0.77 PTGES (0.54) PTGESKMT2AMAPTALDH1A1POLB
SCHEMBL7984763 0.77 PTGES (0.54) PTGESKMT2AMAPTALDH1A1POLB
SCHEMBL23876437 0.76 PTGES (1.00) PTGESADORA3ADORA2AADORA1TTR
SCHEMBL7994940 0.75 PTGES (0.52) PTGESALDH1A1POLB

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