SCHEMBL9968241

SCHEMBL9968241

CC(C)Cc1cc2c(cn1)c1ccccc1n2-c1ccc(C(C)(C)c2ccc(-n3c4ccccc4c4cnc(CC(C)C)cc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
PTPN1 P18031 2/20 0.33
DRD1 P21728 4/20 0.32
DRD5 P21918 4/20 0.32
PPARG P37231 2/20 0.32
ALOX5AP P20292 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL9968194 0.92 KDM4E (0.42) KDM4EATML3MBTL1PARP1TLR7
SCHEMBL9968210 0.81 PARP1 (0.35) KDM4EATML3MBTL1PARP1TLR7
SCHEMBL9968203 0.80 KIF11 (0.34) ATMPARP1TLR7
SCHEMBL9968230 0.77 KDM4E (0.39) KDM4EATML3MBTL1PARP1TLR7
SCHEMBL10039116 0.76 KDM4E (0.59) KDM4EATML3MBTL1PTPN1PPARG
SCHEMBL10100856 0.76 KDM4E (0.59) KDM4EATML3MBTL1PTPN1PPARG
SCHEMBL10206300 0.74 KDM4E (0.58) KDM4EATML3MBTL1PTPN1PPARG
SCHEMBL19836759 0.73 KDM4E (0.61) KDM4EATML3MBTL1PTPN1PPARG
SCHEMBL12241437 0.73 MAOA (0.47) KDM4EATML3MBTL1PPARGPIK3CD
SCHEMBL12011958 0.73 MAOA (0.47) KDM4EATML3MBTL1PPARGPIK3CD

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed