SCHEMBL17033565

SCHEMBL17033565

c1ccc(-c2cncc(-n3c4ccccc4c4c3ccc3cc5c6ccccc6c6ccccc6n5c34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL16066789 0.89 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033575 0.87 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL17033621 0.86 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033788 0.86 KDM4E (0.37) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033558 0.86 ATM (0.41) KDM4EATML3MBTL1
SCHEMBL17033568 0.84 MAPT (0.38) CYP11B1CYP11B2
SCHEMBL17033571 0.83 DHFR (0.34) KDM4EATML3MBTL1
SCHEMBL17033579 0.83 ATM (0.38) KDM4EATML3MBTL1
SCHEMBL16066227 0.83 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066382 0.83 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed