SCHEMBL13072018

SCHEMBL13072018

FCC(CF)(c1ccc(-n2c3ccccc3c3cnccc32)cc1)c1ccc(-n2c3ccccc3c3cnccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
ACHE P22303 2/20 0.50
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GUSB P08236 1/20 0.33
SCN9A Q15858 1/20 0.33
CYP19A1 P11511 1/20 0.33
IDO1 P14902 1/20 0.33
REN P00797 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL13179728 0.87 KDM4E (0.53) KDM4EATML3MBTL1HDAC6CYP19A1
SCHEMBL261854 0.82 MAOA (0.44) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL4570446 0.82 MAOA (0.44) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL9968183 0.82 MAOA (0.47) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL12011958 0.82 MAOA (0.47) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL12241437 0.82 MAOA (0.47) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL15907062 0.79 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL4570443 0.79 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL12098614 0.79 KDM4E (0.67) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL261507 0.79 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100295027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed