SCHEMBL16613336

SCHEMBL16613336

CC1(C)C=c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2=C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DUSP3 P51452 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL16613448 0.91 KDM4E (0.38) KDM4EATML3MBTL1DUSP3MAPT
SCHEMBL16613478 0.90 TUBB4A (0.30)
SCHEMBL16613440 0.88
SCHEMBL16613408 0.87
SCHEMBL16613415 0.85
SCHEMBL16613479 0.85 ENPP3 (0.32)
SCHEMBL16613441 0.84
SCHEMBL16613418 0.84 TUBB4A (0.36) KDM4EDUSP3MAPT
SCHEMBL16613416 0.83
SCHEMBL16613439 0.83 CHRNA1 (0.32)

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