SCHEMBL3399136

SCHEMBL3399136

FC(F)(F)C(F)(F)Oc1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.32
PDK2 Q15119 2/20 0.32
GRM4 Q14833 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10600724 0.84 CA12 (0.35) CA1CA2CA9PDK2PDK1
SCHEMBL615592 0.82 HTR7 (0.38) HTR7L3MBTL1CA1CA2CA5A
SCHEMBL29471353 0.82 HTR7 (0.38) HTR7L3MBTL1CA1CA2CA5A
SCHEMBL9804688 0.78 HTR7 (0.36) HTR7L3MBTL1CA1CA2CA5A
SCHEMBL1619385 0.77 MEN1 (0.36) HTR7L3MBTL1CA1CA2CA5A
SCHEMBL2092883 0.76 ALDH1A1 (0.31) PDK2PDK1PDK3PDK4ALDH1A1
SCHEMBL9871232 0.76 ADRA2A (0.41) L3MBTL1ADRA2AADRA2BADRA2CLMNA
SCHEMBL1400220 0.75 HTR7 (0.38) HTR7L3MBTL1CA1CA2CA5A
SCHEMBL2099503 0.74
SCHEMBL2099505 0.74

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-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed