SCHEMBL28845535

SCHEMBL28845535

[Cu].c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
CCR1 P32246 3/20 0.59
CCR5 P51681 3/20 0.59
CCR8 P51685 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
HSP90AA1 P07900 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
GMNN O75496 1/20 0.59
TP53 P04637 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MMP8 P22894 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL30449837 0.98 LMNA (0.61) LMNACCR1CCR5CCR8KDM4E
SCHEMBL1395123 0.98 LMNA (0.61) LMNACCR1CCR5CCR8KDM4E
SCHEMBL30837267 0.96 LMNA (0.59) LMNACCR1CCR5CCR8KDM4E
SCHEMBL29192757 0.96 LMNA (0.59) LMNACCR1CCR5CCR8KDM4E
SCHEMBL28370016 0.91 CCR1 (0.53) LMNACCR1CCR5CCR8KDM4E
SCHEMBL599374 0.90 LMNA (0.67) LMNACCR1CCR5CCR8KDM4E
SCHEMBL23608092 0.90 LMNA (0.52) LMNACCR1CCR5CCR8KDM4E
SCHEMBL30931575 0.90 LMNA (0.52) LMNACCR1CCR5CCR8KDM4E
SCHEMBL20726792 0.90 MAPT (0.52) LMNACCR1CCR5CCR8KDM4E
SCHEMBL23600052 0.90 MAPT (0.52) LMNACCR1CCR5CCR8KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749411-B A kind of o-phenanthroline tetradentate ligands and the preparation method and application thereof 浙江工业大学 2019-01-08 CN disclosed
CN-106749411-A A kind of o-phenanthroline tetradentate ligandses and preparation method and application 浙江工业大学 2017-05-31 CN disclosed