SCHEMBL16613318

SCHEMBL16613318

c1ccc(-n2cc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL16613320 0.95 KDM4E (0.36) KDM4EATML3MBTL1CNR1CNR2
SCHEMBL16613314 0.91 CNR1 (0.31) KDM4EATML3MBTL1CNR1CNR2
SCHEMBL16613272 0.91 KDM4E (0.35) KDM4EATML3MBTL1TUBB4ATUBB
SCHEMBL16613293 0.89 KDM4E (0.40) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613279 0.89 KDM4E (0.34) KDM4EATML3MBTL1CNR1CNR2
SCHEMBL16613292 0.88 KDM4E (0.37) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL16613378 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16613270 0.85 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16613298 0.85 KDM4E (0.44) KDM4EATML3MBTL1NPSR1ALDH1A1
SCHEMBL12014852 0.84 ALDH1A1 (0.42) KDM4EATML3MBTL1TUBB4ATUBB

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