SCHEMBL16749792

SCHEMBL16749792

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccccc7N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 4/20 0.36
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
NPY5R Q15761 2/20 0.33
HDAC4 P56524 1/20 0.33
NR3C1 P04150 1/20 0.31
PDE5A O76074 2/20 0.31
RXRA P19793 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
SCHEMBL23308270 0.94 L3MBTL1 (0.40) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL23308307 0.92 TSPO (0.38) TSPOPTGER4RAC2RAC3CDC42
SCHEMBL24221720 0.91 L3MBTL1 (0.41) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL13130911 0.90 L3MBTL1 (0.44) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL16589923 0.90 L3MBTL1 (0.44) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL24221809 0.90 L3MBTL1 (0.44) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL17194577 0.89 TSPO (0.40) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL20707401 0.89 L3MBTL1 (0.45) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL21038495 0.89 L3MBTL1 (0.45) TSPOKDM4EATML3MBTL1PTGER4
SCHEMBL21011051 0.89 L3MBTL1 (0.45) TSPOKDM4EATML3MBTL1PTGER4

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-2015076523-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2015-05-28 WO disclosed