SCHEMBL9968183

SCHEMBL9968183

CC(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)c1ccc(-n2c3ccccc3c3cnccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
ACHE P22303 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TOP2A P11388 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
USP14 P54578 1/20 0.34
SLC6A2 P23975 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL12241437 0.91 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL12011958 0.91 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL17147273 0.89 CYP19A1 (0.41) MAOAMAOBACHEKDM4EATM
SCHEMBL16710935 0.87 MAOA (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL11978692 0.83 MAOA (0.50) MAOAMAOBACHEKDM4EATM
SCHEMBL4570446 0.83 MAOA (0.44) MAOAMAOBACHEKDM4EATM
SCHEMBL261854 0.83 MAOA (0.44) MAOAMAOBACHEKDM4EATM
SCHEMBL12113701 0.83 USP14 (0.35) MAOAMAOBACHECYP2D6CYP19A1
SCHEMBL4570443 0.83 MAOA (0.53) MAOAMAOBACHEKDM4EATM
SCHEMBL15907062 0.83 MAOA (0.53) MAOAMAOBACHEKDM4EATM

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