SCHEMBL7984639

SCHEMBL7984639

COc1ccc(OC)c2c(=O)c(=O)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MCL1 Q07820 2/20 0.44
MAPK1 P28482 2/20 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
APOBEC3G Q9HC16 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP19A1 P11511 2/20 0.44
NQO2 P16083 2/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 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
SCHEMBL11694858 0.80 CA1 (0.42) MAPTKDM4EMCL1MAPK1RAB9A
SCHEMBL4587611 0.79 ALDH1A1 (0.53) MAPTKDM4EMAPK1RAB9ANPSR1
SCHEMBL357981 0.78 CA2 (0.53) MAPTKDM4EMCL1MAPK1RAB9A
SCHEMBL29442958 0.78 CA2 (0.53) MAPTKDM4EMCL1MAPK1RAB9A
SCHEMBL4308337 0.77 KDM4E (0.49) MAPTKDM4EMAPK1NPSR1HTT
Formaldehyde SCHEMBL29155314 0.77 CA2 (0.45) MAPTKDM4EMCL1MAPK1RAB9A
SCHEMBL11132870 0.73 MAOA (0.47) MAPTKDM4ERAB9AALDH1A1TDP1
SCHEMBL8525301 0.73 MAOA (0.51) MAPTKDM4EMCL1RAB9AMEN1
SCHEMBL11808700 0.72 IDO1 (0.54) MAPTKDM4EMAPK1RAB9ANPSR1
SCHEMBL12940963 0.72 MAPT (0.48) MAPTKDM4EMCL1MAPK1RAB9A

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