SCHEMBL16613442

SCHEMBL16613442

CC1(C)C=c2nc(-n3c4ccccc4c4ccccc43)nc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16613498 0.90 KDM4E (0.35) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL16613497 0.90
SCHEMBL16613340 0.88 KDM4E (0.33) L3MBTL1ATMMEN1KMT2AKDM4E
SCHEMBL16613341 0.86 KDM4E (0.30) L3MBTL1ATMKDM4E
SCHEMBL16613425 0.86 KDM4E (0.30) L3MBTL1ATMKDM4E
SCHEMBL16613499 0.85
SCHEMBL16613443 0.84
SCHEMBL16613415 0.80
SCHEMBL16613418 0.80 TUBB4A (0.36) KDM4E
SCHEMBL16613448 0.79 KDM4E (0.38) L3MBTL1ATMKDM4E

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