SCHEMBL16613247

SCHEMBL16613247

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL16613234 0.98 KDM4E (0.33) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613242 0.94 KDM4E (0.31) KDM4EL3MBTL1ATM
SCHEMBL16613241 0.93 KDM4E (0.31) KDM4EL3MBTL1ATM
SCHEMBL16613551 0.92 KDM4E (0.30) KDM4EL3MBTL1ATM
SCHEMBL16613262 0.92 KDM4E (0.31) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613347 0.92 KDM4E (0.31) KDM4EL3MBTL1ATMPOLBCTDSP1
SCHEMBL16613263 0.90 DUSP3 (0.31)
SCHEMBL15596395 0.90 ALDH1A1 (0.44) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613235 0.88 TUBB4A (0.31)
SCHEMBL16613289 0.88 KDM4E (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD

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