SCHEMBL15280943

SCHEMBL15280943

c1ccc2c(c1)c1cnccc1n2-c1ccc(Cc2ccc(-c3ccc(-n4c5ccncc5c5cnccc54)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 4/20 0.49
ACHE P22303 2/20 0.49
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.43
REN P00797 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP17A1 P05093 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP19A1 P11511 3/20 0.38
HDAC4 P56524 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
DDB1 Q16531 1/20 0.36

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
SCHEMBL261524 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL262048 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL261840 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL16155098 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL261522 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL262071 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL262062 1.00 MAOA (0.49) MAOAMAOBACHEKDM4EATM
SCHEMBL15280902 0.96 MAOA (0.46) MAOAMAOBACHEKDM4EATM
SCHEMBL261874 0.96 MAOA (0.53) MAOAMAOBACHEKDM4EATM
SCHEMBL262041 0.96 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-20130252027-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND ILLUMINATING DEVICE Konica Minolta, Inc. (JP) 2013-09-26 US disclosed
US-20130252027-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND ILLUMINATING DEVICE Konica Minolta, Inc. (JP) 2013-09-26 US disclosed