SCHEMBL7984832

SCHEMBL7984832

O=C1c2nc3nonc3nc2-c2cccc(OCc3ccccc3)c21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.63
BRD4 O60885 3/20 0.43
SGMS2 Q8NHU3 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7996575 0.91 PTGES (0.55) PTGESBRD4SGMS2MAPK1MAPT
SCHEMBL7994940 0.88 PTGES (0.52) PTGESBRD4SGMS2
SCHEMBL7994971 0.85 PTGES (0.59) PTGESBRD4KCNA3
SCHEMBL7984763 0.82 PTGES (0.54) PTGESMAPK1TDP1L3MBTL1MAPT
SCHEMBL7996440 0.82 PTGES (0.54) PTGESMAPK1L3MBTL1MAPTMEN1
Trifluoroacetic Acid SCHEMBL7996801 0.82 PTGES (0.52) PTGESBRD4SGMS2L3MBTL1MAPT
SCHEMBL7984591 0.80 PTGES (0.61) PTGESL3MBTL1MAPTMAOBMEN1
SCHEMBL7996719 0.79 PTGES (0.64) PTGESCA1CA2CA9TDP1
SCHEMBL23876437 0.77 PTGES (1.00) PTGESCA12CA9MAPK1TDP1
SCHEMBL16072720 0.77 KCNA3 (0.58) BRD4TNKS2MAPK1TDP1L3MBTL1

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