SCHEMBL7998545

SCHEMBL7998545

COc1ccc(OC)c2c1C(=O)c1nc3nonc3nc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.59
USP7 Q93009 2/20 0.59
MAPK1 P28482 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
S1PR4 O95977 1/20 0.44
HSP90AA1 P07900 1/20 0.44
G6PD P11413 1/20 0.44
S1PR1 P21453 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43

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
SCHEMBL7996719 0.82 PTGES (0.64) USP8USP7MAPTKDM4ERAB9A
SCHEMBL7994928 0.75 PTGES (0.42) USP8USP7MAPK1MAPTKDM4E
SCHEMBL7996571 0.74 USP8 (0.59) USP8USP7MAPK1MAPTKDM4E
SCHEMBL1512633 0.74 USP8 (1.00) USP8USP7MAPK1MAPTKDM4E
SCHEMBL11134106 0.70 MAPT (0.73) USP8USP7MAPK1MAPTKDM4E
SCHEMBL7984632 0.67 USP8 (0.60) USP8USP7MAPK1MAPTRAB9A
SCHEMBL23271697 0.64 MAPT (0.64) USP8USP7MAPK1MAPTKDM4E
SCHEMBL30002993 0.64 MAPT (0.64) USP8USP7MAPK1MAPTKDM4E
SCHEMBL7994964 0.64 PTGES (0.45) USP8USP7MAPK1MAPTRAB9A
SCHEMBL7983849 0.64 PTGES (0.57) USP8MAPK1MAPTKDM4EHTT

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