SCHEMBL16613774

SCHEMBL16613774

CC1(C)C=Cc2c(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
PTGER4 P35408 1/20 0.33
MCL1 Q07820 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL16613745 0.89 KDM4E (0.37) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613414 0.88 MCL1 (0.37) NPY5RMCL1KDM4E
SCHEMBL16613809 0.88 KDM4E (0.36) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613675 0.86 PTGER4 (0.35) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613760 0.86 PTGER4 (0.35) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613799 0.85 PTGER4 (0.36) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613616 0.85 PTGER4 (0.34) NPY5RPTGER4KDM4EATML3MBTL1
SCHEMBL16613674 0.84 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL16613676 0.84 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL16613759 0.83 PTGER4 (0.33) NPY5RPTGER4KDM4EATML3MBTL1

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