SCHEMBL17033788

SCHEMBL17033788

c1ccc(-c2cncc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KMT2A Q03164 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL17033565 0.86 CHRNB4 (0.37) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL17033816 0.86 L3MBTL1 (0.42) KDM4EATML3MBTL1KMT2AJAK2
SCHEMBL17033446 0.85 CHRNB4 (0.37) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL17033465 0.85 CHRNB4 (0.40) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL16066227 0.85 CHRNB4 (0.38) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL16066382 0.85 CHRNB4 (0.38) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL17033803 0.85 ATM (0.45) KDM4EATML3MBTL1KMT2AJAK2
SCHEMBL16066799 0.84 CHRNB4 (0.37) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL16066213 0.83 CHRNB4 (0.40) KDM4EATML3MBTL1CHRNB4CHRNA3
SCHEMBL17033855 0.82 MAPT (0.38) KDM4EATML3MBTL1MKNK1MKNK2

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