SCHEMBL3843417

SCHEMBL3843417

CCCCCCCn1c(=O)c(NCCCCc2cccc(SC(C)(C)C(=O)O)c2)nn(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
PPARG P37231 4/20 0.44
PPARD Q03181 2/20 0.39
ADORA3 P0DMS8 3/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.36
TLR7 Q9NYK1 3/20 0.35
SLC22A12 Q96S37 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
SCHEMBL3842827 0.95 PPARG (0.40) PPARAPPARGPPARDADORA3TP53
SCHEMBL3842355 0.94 PPARG (0.41) PPARAPPARGPPARDADORA3TP53
SCHEMBL3285942 0.92 PPARA (0.42) PPARAPPARGPPARDADORA3TP53
SCHEMBL3842931 0.92 PPARA (0.43) PPARAPPARGPPARDADORA3TP53
SCHEMBL3844324 0.90 PPARG (0.38) PPARAPPARGPPARDADORA3TP53
SCHEMBL3840290 0.89 PPARG (0.39) PPARAPPARGPPARDADORA3TP53
SCHEMBL3841330 0.87 PPARG (0.38) PPARAPPARGPPARDTP53TLR7
SCHEMBL3284363 0.87 PPARA (0.40) PPARAPPARGPPARDADORA3TP53
SCHEMBL3841112 0.86 PPARG (0.39) PPARAPPARGPPARDADORA3TP53
SCHEMBL3841974 0.86 PPARG (0.38) PPARAPPARGPPARDADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP claimed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-1856065-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2007-11-21 EP disclosed
WO-2006092507-A1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2006-09-08 WO disclosed