SCHEMBL4367769

SCHEMBL4367769

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccn3)n2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
LMNA P02545 4/20 0.62
CCR1 P32246 3/20 0.62
CCR5 P51681 3/20 0.62
CCR8 P51685 3/20 0.62
TP53 P04637 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALOX15 P16050 2/20 0.62
HTT P42858 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 2/20 0.62
ALPL P05186 1/20 0.62
HSP90AA1 P07900 1/20 0.62
ALPI P09923 1/20 0.62
ALPG P10696 1/20 0.62
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL31635769 1.00 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15024091 0.96 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18679988 0.95 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18679980 0.95 KDM4E (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18680033 0.92 CCR1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1991845 0.91 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30804362 0.91 KDM4E (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22871553 0.90 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13311187 0.89 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29660049 0.89 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8

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
US-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed