SCHEMBL16613588

SCHEMBL16613588

c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)cc3)nc3c2ccn3-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL15596613 0.91 KMT2A (0.37) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613516 0.90 SETD7 (0.30)
SCHEMBL16613558 0.87 MAPT (0.30)
SCHEMBL16613262 0.86 KDM4E (0.31) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613589 0.86 MCL1 (0.35) KDM4EATML3MBTL1
SCHEMBL20408511 0.86 KDM4E (0.41) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15596605 0.86 KMT2A (0.37) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL20427185 0.85 KDM4E (0.40) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16613556 0.84 KDM4E (0.34) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15857164 0.84 KDM4E (0.39) 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