SCHEMBL16067167

SCHEMBL16067167

c1ccc(-c2cncc(-n3c4ccccc4c4ccc5c6ccccc6c6cc7ccccc7n6c5c43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL17033621 0.91 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066789 0.89 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16067177 0.89 CHRNB4 (0.37) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066766 0.88 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16067145 0.87 L3MBTL1 (0.37) KDM4EATML3MBTL1
SCHEMBL16067040 0.86 CHRNB4 (0.37) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066213 0.86 CHRNB4 (0.40) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16067205 0.85 ATM (0.39) KDM4EATML3MBTL1MAPT
SCHEMBL16067016 0.85 CHRNB4 (0.39) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066335 0.84 KDM4E (0.45) CHRNB4CHRNA3KDM4EMAPT

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
WO-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed