SCHEMBL5259407

SCHEMBL5259407

O=[N+]([O-])c1[c]nc(-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
LMNA P02545 3/20 0.47
METAP1 P53582 3/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
P4HTM Q9NXG6 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
DOHH Q9BU89 1/20 0.47
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
NPC1 O15118 4/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
Dipyridyl SCHEMBL28763261 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL29085081 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL11764778 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL28342187 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL6280543 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL27800640 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL29769825 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL11764780 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL809405 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5
Dipyridyl SCHEMBL794981 0.76 KDM4E (0.67) KDM4ELMNAMETAP1CCR1CCR5

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
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed