SCHEMBL16613311

SCHEMBL16613311

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4ccccc43)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
HSD11B1 P28845 1/20 0.32
KMT2A Q03164 2/20 0.31
IL1R1 P14778 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
DYRK1A Q13627 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
DUSP3 P51452 1/20 0.30
HTR6 P50406 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A2 O94788 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL16613585 0.92 KDM4E (0.37) KDM4EL3MBTL1ATMRXFP1
SCHEMBL16613289 0.90 KDM4E (0.41) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613262 0.89 KDM4E (0.31) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613661 0.89
SCHEMBL16613312 0.88 KDM4E (0.36) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613290 0.88 KDM4E (0.37) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613256 0.88 L3MBTL1 (0.39) KDM4EL3MBTL1ATMPOLBKMT2A
SCHEMBL16613367 0.87 KDM4E (0.40) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613273 0.86 KDM4E (0.34) KDM4EL3MBTL1ATMHSD11B1KMT2A
SCHEMBL16613313 0.85 KDM4E (0.37) KDM4EL3MBTL1ATMPOLBCTDSP1

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