SCHEMBL7994861

SCHEMBL7994861

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.59
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TDP2 O95551 1/20 0.36
PTPN1 P18031 1/20 0.36
TTR P02766 1/20 0.36
POLB P06746 2/20 0.35
CTNNB1 P35222 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNN4 O15554 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 PTGES (0.61) PTGESTDP2TTRPOLBALDH1A1
SCHEMBL7994951 0.88 PTGES (0.56) PTGESDDB1CRBNTDP2PTPN1
SCHEMBL7996719 0.81 PTGES (0.64) PTGESCTNNB1ALDH1A1MAPTMEN1
SCHEMBL7994925 0.81 PTGES (0.40) PTGESPOLBALDH1A1MAPTL3MBTL1
SCHEMBL7984832 0.78 PTGES (0.63) PTGESMAPTL3MBTL1MEN1KMT2A
SCHEMBL7996575 0.76 PTGES (0.55) PTGESTTRMAPTMEN1KMT2A
SCHEMBL7995005 0.76 PTGES (0.57) PTGESPOLBALDH1A1MAPTL3MBTL1
SCHEMBL7996440 0.75 PTGES (0.54) PTGESPOLBALDH1A1MAPTL3MBTL1
SCHEMBL7994971 0.75 PTGES (0.59) PTGES
SCHEMBL7984763 0.75 PTGES (0.54) PTGESPOLBALDH1A1MAPTBLM

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