SCHEMBL14733148

SCHEMBL14733148

N#Cc1cccc(CCCc2cccc(N)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
BACE1 P56817 4/20 0.38
KCNH2 Q12809 2/20 0.37
APP P05067 2/20 0.36
NOS3 P29474 2/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL14732983 0.89 KCNH2 (0.44) KCNH2IRAK4
SCHEMBL22120171 0.84 KCNH2 (0.52) KCNH2
SCHEMBL30779745 0.80
SCHEMBL913399 0.80
SCHEMBL26538143 0.79 KCNH2 (0.56) KCNH2
SCHEMBL2962979 0.79 KCNH2 (0.43) KCNH2
SCHEMBL27835923 0.79 HRH1 (0.42) NOS1NOS2KCNH2ALOX5APFEN1
SCHEMBL9440177 0.77 KCNH2 (0.68) KCNH2
SCHEMBL1195883 0.75 MEN1 (0.44) NOS1NOS2BACE1KCNH2APP
SCHEMBL21199960 0.75 HSD11B1 (0.44) KCNH2

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-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed