SCHEMBL16749672

SCHEMBL16749672

c1ccc(N(c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TSPO P30536 3/20 0.33
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 1/20 0.31
PTGES O14684 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 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
SCHEMBL16749756 0.92 POLB (0.35) POLBTSPOSIGMAR1ALDH1A1PTGES
SCHEMBL16749676 0.91 POLB (0.34) POLBTSPOSIGMAR1ALDH1A1PTGES
SCHEMBL16749665 0.90 KDM4E (0.40) TSPOSIGMAR1PTGESMCL1ACMSD
SCHEMBL16749673 0.90 POLB (0.32) POLBTSPOPTGESMCL1ACMSD
SCHEMBL16749762 0.89 POLB (0.34) POLBTSPOALDH1A1PTGESMCL1
SCHEMBL16749755 0.88 TSPO (0.38) POLBTSPOSIGMAR1ALDH1A1PTGES
SCHEMBL16749754 0.88 POLB (0.38) POLBTSPOALDH1A1PTGESMCL1
SCHEMBL24221763 0.86 TSPO (0.37) POLBTSPOSIGMAR1ALDH1A1PTGES
SCHEMBL16749681 0.86 POLB (0.37) POLBTSPOALDH1A1PTGESMCL1
SCHEMBL20363860 0.86 TSPO (0.34) TSPOSIGMAR1PTGESMCL1ACMSD

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