SCHEMBL14733145

SCHEMBL14733145

COc1cc(CCCc2cccc(/C(C)=N/O)n2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.36
FFAR1 O14842 4/20 0.36
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL14733007 0.84 CCR1 (0.46) IRAK4CCR1CCR8HSP90AA1
SCHEMBL14733147 0.82 CCR1 (0.41) IRAK4FFAR1CCR1CCR8GAA
SCHEMBL14733152 0.81 NOS2 (0.44) FFAR1CCR1CCR8
SCHEMBL14733133 0.81 FFAR1 (0.36) FFAR1CCR1CCR8HSP90AA1TGFBR1
SCHEMBL14732923 0.76 CCR1 (0.42) IRAK4CCR1CCR8HSP90AA1
SCHEMBL14733059 0.76 CCR1 (0.42) IRAK4CCR1CCR8HSP90AA1
SCHEMBL14733014 0.75 GRM5 (0.34) CCR1CCR8HSP90AA1
SCHEMBL14733158 0.74 CCR1 (0.40) FFAR1CCR1CCR8GAATGFBR1
SCHEMBL14733144 0.73 TGFBR1 (0.32) FFAR1TGFBR1
SCHEMBL10369024 0.73 KCNH2 (0.43) FFAR1GAA

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