SCHEMBL6509376

SCHEMBL6509376

CCCCCCCn1nc(-c2ccccc2)c(=O)n(CCCCc2cccc(SC(C)(C)C(=O)OCC)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
SMPD1 P17405 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 2/20 0.35

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 0.90 PPARA (0.42) PPARAPPARGADORA3
SCHEMBL6511617 0.88 PPARA (0.44) PPARAPPARGADORA3
SCHEMBL3286592 0.85 PPARA (0.41) PPARAPPARGADORA3
SCHEMBL6510857 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL6509795 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL6512670 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL6511563 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL6510004 0.85 PPARA (0.62) PPARAPPARG
SCHEMBL6511112 0.85 PPARA (0.42) PPARAPPARGMEN1KMT2A
SCHEMBL6508985 0.84 PPARA (0.40) PPARAPPARGADORA3

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