SCHEMBL6511112

SCHEMBL6511112

CCCCCCc1nn(CCCc2cccc(SC(C)(C)C(=O)OCC)c2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 6/20 0.42
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
PPARD Q03181 2/20 0.35
MAPK8 P45983 1/20 0.34

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 0.91 PPARA (0.42) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL6508985 0.88 PPARA (0.40) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL3284363 0.87 PPARA (0.40) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL6509376 0.85 PPARA (0.42) PPARAPPARGMEN1KMT2A
SCHEMBL6511129 0.85 PPARA (0.64) PPARAPPARGALDH1A1PPARD
SCHEMBL6511617 0.84 PPARA (0.44) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL6509731 0.83 PPARA (0.64) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL6512786 0.83 PPARA (0.64) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL6533130 0.83 PPARA (0.64) PPARAPPARGALDH1A1AGTR1AGTR2
SCHEMBL6515640 0.83 MEN1 (0.37) PPARAALDH1A1MEN1KMT2ATP53

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