SCHEMBL16613678

SCHEMBL16613678

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5cccc6ccccc56)c5c(ccn5-c5ccccc5)n4)c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL16613731 0.96 DUSP3 (0.31) DUSP3
SCHEMBL16613572 0.93 KDM4E (0.34) DUSP3KDM4EATML3MBTL1POLB
SCHEMBL16613724 0.92 DUSP3 (0.30) DUSP3
SCHEMBL15596414 0.92 DUSP3 (0.33) DUSP3KDM4EATML3MBTL1POLB
SCHEMBL16613569 0.91
SCHEMBL16613679 0.90 KDM4E (0.31) DUSP3KDM4EATML3MBTL1POLB
SCHEMBL16613734 0.90 KDM4E (0.36) DUSP3KDM4EATML3MBTL1POLB
SCHEMBL16613630 0.88 KDM4E (0.34) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613342 0.87 DUSP3 (0.31) DUSP3
SCHEMBL16613248 0.87 DUSP3 (0.33) DUSP3KDM4EATML3MBTL1POLB

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed