SCHEMBL6511617

SCHEMBL6511617

CCCCCCCn1c(=O)c(Br)nn(CCCCc2cccc(SC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARG P37231 7/20 0.44
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CNR2 P34972 1/20 0.33
TNF P01375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PPARD Q03181 1/20 0.33
PPOX P50336 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
SCHEMBL6509688 0.89 PPARA (0.42) PPARAPPARGALDH1A1HTTADORA3
SCHEMBL6509376 0.88 PPARA (0.42) PPARAPPARGADORA3
SCHEMBL3286592 0.88 PPARA (0.41) PPARAPPARGALDH1A1HTTADORA3
SCHEMBL6508985 0.86 PPARA (0.40) PPARAPPARGALDH1A1HTTADORA3
SCHEMBL6512234 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6511476 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6511449 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6531098 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL6511112 0.84 PPARA (0.42) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL3284391 0.83 PPARA (0.38) PPARAPPARGALDH1A1ADORA3CNR2

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-2005080354-A1 1,2,4-TRIAZINES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2005-09-01 WO disclosed