SCHEMBL21100432

SCHEMBL21100432

c1ccc2c(c1)c1cnccc1n2-c1cc(-c2cc(-n3c4ccccc4c4cnccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc(-n2c3ccccc3c3cnccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
ACHE P22303 3/20 0.51
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.44
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TOP2A P11388 1/20 0.39
SLC6A2 P23975 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL16356750 0.95 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL16356751 0.95 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL5021387 0.95 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL261895 0.95 MAOA (0.56) MAOAMAOBACHEKDM4EATM
SCHEMBL19271527 0.94 MAOA (0.47) MAOAMAOBACHEKDM4EATM
SCHEMBL30322640 0.93 MAOA (0.46) MAOAMAOBACHEKDM4EATM
SCHEMBL19729729 0.91 MAOA (0.44) MAOAMAOBACHEKDM4EATM
SCHEMBL13866692 0.90 CYP19A1 (0.41) MAOAMAOBACHEKDM4EATM
SCHEMBL11987862 0.89 MAOA (0.43) MAOAMAOBACHEKDM4EATM
SCHEMBL18252376 0.89 MAOA (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190189932-A1 TRANSPARENT ELECTRODE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2019-06-20 US disclosed