SCHEMBL16749689

SCHEMBL16749689

c1ccc(N(c2cccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
TSPO P30536 3/20 0.32
AKT1 P31749 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PTGES O14684 1/20 0.32
NPY5R Q15761 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRKDC P78527 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
SCHEMBL16749761 0.97 POLB (0.34) POLBTSPOAKT1MCL1ACMSD
SCHEMBL16749681 0.94 POLB (0.37) POLBTSPOMCL1ACMSDPTGES
SCHEMBL20970502 0.91 TSPO (0.39) POLBTSPOPTGESNPY5RPER2
SCHEMBL16749754 0.91 POLB (0.38) POLBTSPOMCL1ACMSDPTGES
SCHEMBL16749673 0.91 POLB (0.32) POLBTSPOMCL1ACMSDPTGES
SCHEMBL16749687 0.89 L3MBTL1 (0.40) TSPOMCL1ACMSDPTGESNPY5R
SCHEMBL23154733 0.89 AKT1 (0.33) AKT1MCL1ACMSDPER2CRY1
SCHEMBL17720506 0.89 TSPO (0.35) TSPOPTGESPER2CRY1CRY2
SCHEMBL17720504 0.89 TSPO (0.35) TSPOPTGESPER2CRY1CRY2
SCHEMBL26480887 0.88 TSPO (0.36) TSPOAKT1NPY5R

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