SCHEMBL16613623

SCHEMBL16613623

CC(C)(C)c1nc(-c2ccc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)cc2)nc2c1ccn2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGLL Q99685 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL16613559 0.86 ADORA2A (0.34) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL16613556 0.85 KDM4E (0.34) PDE4BKDM4EATML3MBTL1MGLL
SCHEMBL20408511 0.84 KDM4E (0.41) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL20427185 0.83 KDM4E (0.40) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL15857164 0.82 KDM4E (0.39) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL15802274 0.82 KDM4E (0.41) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL16613588 0.82 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL15802252 0.81 KDM4E (0.40) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL16613589 0.81 MCL1 (0.35) MAPTNPSR1KDM4EATML3MBTL1
SCHEMBL16357526 0.81 KMT2A (0.38) ALDH1A1MAPTMAPK1NPSR1KDM4E

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