SCHEMBL4570446

SCHEMBL4570446

FC(F)(F)C(c1ccc(-n2c3ccccc3c3cnccc32)cc1)(c1ccc(C(c2ccc(-n3c4ccccc4c4cnccc43)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP19A1 P11511 3/20 0.34
SCN9A Q15858 1/20 0.34
KIF11 P52732 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
MLYCD O95822 1/20 0.33
SLC6A2 P23975 1/20 0.33
PPARG P37231 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
SCHEMBL261854 1.00 MAOA (0.44) MAOAMAOBACHEKDM4EATM
SCHEMBL261843 0.93 ESR1 (0.36) MAOAMAOBACHESCN9AKIF11
SCHEMBL261896 0.92 KDM4E (0.42) MAOAMAOBACHEKDM4EATM
SCHEMBL10100897 0.87 L3MBTL1 (0.55) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL4570431 0.87 L3MBTL1 (0.55) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL4570428 0.87 L3MBTL1 (0.55) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL12011958 0.83 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL12241437 0.83 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL9968183 0.83 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL13072018 0.82 MAOA (0.50) 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-20120123073-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD OF MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-05-17 US disclosed
US-20120123073-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD OF MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-05-17 US disclosed