SCHEMBL16586318

SCHEMBL16586318

Cc1ccc(Cl)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ KCNQ1 P51787 1/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ TLR8 Q9NR97 6/20 0.47
▸ TLR7 Q9NYK1 2/20 0.45
▸ ATF1 P18846 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ ENPP3 O14638 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL25210996 0.93 AHR (0.56) AHRMAPTKCNQ3KCNQ2KCNE1
SCHEMBL16585996 0.84 NFKB1 (0.57) AHRMAPTKCNQ3KCNQ2KCNE1
SCHEMBL16596092 0.81 KDR (0.52) ENPP3ENPP1ENPP2
SCHEMBL16585956 0.80 MAPT (0.49) AHRMAPTTRPV1ATF1NFKB1
SCHEMBL30184289 0.79 HTT (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL25592374 0.79 HTT (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL25257907 0.78 KCNQ3 (0.54) AHRMAPTKCNQ3KCNQ2KCNE1
SCHEMBL30184161 0.78 KCNQ3 (0.54) AHRMAPTKCNQ3KCNQ2KCNE1
SCHEMBL25590564 0.74 ROCK1 (0.48) AHRMAPTTRPV1NPC1GMNN
SCHEMBL16596137 0.74 KDR (0.48) MAPTENPP3ENPP1ENPP2

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-2015040405-A2 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2015-03-26 — — WO disclosed
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