SCHEMBL16613679

SCHEMBL16613679

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3ccn(-c4ccccc4)c23)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 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
DUSP3 P51452 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL15596408 0.92 KDM4E (0.36) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613630 0.92 KDM4E (0.34) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613572 0.91 KDM4E (0.34) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613731 0.90 DUSP3 (0.31) DUSP3
SCHEMBL16613678 0.90 DUSP3 (0.32) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613639 0.90 KDM4E (0.33) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613603 0.90 KDM4E (0.36) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613724 0.89 DUSP3 (0.30) DUSP3
SCHEMBL16613570 0.88 KDM4E (0.31) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613680 0.88 KDM4E (0.31) KDM4EATML3MBTL1POLBCTDSP1

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