SCHEMBL16613314

SCHEMBL16613314

c1ccc(-n2cc3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc(-c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GPR35 Q9HC97 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16613378 0.96 ALDH1A1 (0.31)
SCHEMBL16613291 0.92 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL16613270 0.92 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16613296 0.92 KDM4E (0.31) KDM4E
SCHEMBL16613318 0.91 KDM4E (0.37) CNR1CNR2GPR35GPR55KDM4E
SCHEMBL16613377 0.90 KDM4E (0.31) KDM4E
SCHEMBL16613266 0.89 ALDH1A1 (0.38) KDM4EATML3MBTL1
SCHEMBL16613269 0.88
SCHEMBL16613267 0.87 ALDH1A1 (0.36) KDM4EATML3MBTL1
SCHEMBL16613317 0.87

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