SCHEMBL798061

SCHEMBL798061

Nc1ccc(-c2ccccn2)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
GLA P06280 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
ALOX15 P16050 3/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
TDO2 P48775 1/20 0.47
TP53 P04637 5/20 0.47

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
SCHEMBL7910798 0.81 KDM4E (0.46) KDM4ENPC1RAB9AL3MBTL1ALOX15
SCHEMBL30802290 0.78 KDM4E (0.54) KDM4ENPC1RAB9AGLAMAPT
SCHEMBL844746 0.78 KDM4E (0.54) KDM4ENPC1RAB9AGLAMAPT
SCHEMBL4876602 0.78 KDM4E (0.43) KDM4ENPC1RAB9AGLAMAPT
SCHEMBL15436237 0.76 PIM1 (0.45) KDM4ENPC1RAB9AGLAHTT
SCHEMBL6212390 0.76 KDM4E (0.52) KDM4EL3MBTL1ALOX15LMNACCR1
Hydrochloric Acid SCHEMBL15436253 0.74 PIM1 (0.44) KDM4ENPC1RAB9AGLAHTT
SCHEMBL11965541 0.74 KDM4E (0.68) KDM4ENPC1RAB9AGLAMAPT
SCHEMBL489080 0.74 KDM4E (0.71) KDM4ENPC1RAB9AGLAMAPT
SCHEMBL30215997 0.74 KDM4E (0.71) KDM4ENPC1RAB9AGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
CN-1190453-C Polymer of aromatic amine-2,3-pyridine diketone, its preparing method and usage UNIV ZHONGSHAN (CN) 2005-02-23 CN disclosed
CN-1431242-A Polymer of aromatic amine-2,3-pyridine diketone, its preparing method and usage UNIV ZHONGSHAN (CN) 2003-07-23 CN disclosed