SCHEMBL16613265

SCHEMBL16613265

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4c3ccn4-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
PDE5A O76074 1/20 0.31
IL1R1 P14778 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL16613520 0.92 ATM (0.37) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL16613289 0.90 KDM4E (0.41) L3MBTL1KDM4EATMPOLBCTDSP1
SCHEMBL16613347 0.89 KDM4E (0.31) L3MBTL1KDM4EATMPOLBCTDSP1
SCHEMBL16613495 0.89
SCHEMBL16613256 0.88 L3MBTL1 (0.39) L3MBTL1KDM4EATMPOLBKMT2A
SCHEMBL16613313 0.85 KDM4E (0.37) L3MBTL1KDM4EATMPOLBCTDSP1
SCHEMBL16613311 0.85 KDM4E (0.37) L3MBTL1KDM4EATMABCG2POLB
SCHEMBL16613364 0.84 KDM4E (0.36) L3MBTL1KDM4EATMPOLBKMT2A
SCHEMBL16613518 0.81 KDM4E (0.40) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL16613637 0.81 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AMEN1

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