SCHEMBL17033446

SCHEMBL17033446

c1ccc(-c2cncc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

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
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.31
DUSP3 P51452 1/20 0.30
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

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
SCHEMBL17033443 0.86 L3MBTL1 (0.39) KDM4EATML3MBTL1KMT2A
SCHEMBL17033621 0.86 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033788 0.85 KDM4E (0.37) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033426 0.85 ATM (0.41) KDM4EATML3MBTL1KMT2ADUSP3
SCHEMBL16067177 0.84 CHRNB4 (0.37) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16067167 0.83 CHRNB4 (0.38) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033465 0.83 CHRNB4 (0.40) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033718 0.83 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL16066766 0.83 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EATML3MBTL1
SCHEMBL17033419 0.82 MAPT (0.40) L3MBTL1LRRK2MKNK1MKNK2

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