SCHEMBL16613508

SCHEMBL16613508

c1ccc(-n2ccc3c(-c4ccccc4-c4cccc5ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
TLR4 O00206 1/20 0.32
PTGER4 P35408 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
SCHEMBL16613583 0.96 KDM4E (0.36) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613686 0.92 KDM4E (0.35) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613585 0.91 KDM4E (0.37) KDM4EATML3MBTL1PTGER4
SCHEMBL16613312 0.91 KDM4E (0.36) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613496 0.91 KDM4E (0.33) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613695 0.90 KDM4E (0.36) KDM4EATML3MBTL1PTGER4
SCHEMBL16613518 0.87 KDM4E (0.40) KDM4EATML3MBTL1PTGER4
SCHEMBL16613290 0.87 KDM4E (0.37) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613584 0.86 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL16613637 0.86 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4

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