SCHEMBL3840290

SCHEMBL3840290

CCCCCCCn1c(=O)c(NCCCc2cccc(SC(C)(C)C(=O)O)c2)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 2/20 0.35
CNOT7 Q9UIV1 4/20 0.35
ADORA3 P0DMS8 3/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3841974 0.96 PPARG (0.38) PPARGPPARAPPARDCNOT7ADORA3
SCHEMBL3849869 0.91 PPARG (0.38) PPARGPPARAPPARDCNOT7ADORA3
SCHEMBL3842355 0.91 PPARG (0.41) PPARGPPARAPPARDCNOT7ADORA3
SCHEMBL3291760 0.90 PPARA (0.41) PPARGPPARAADORA3TP53HTT
SCHEMBL3843417 0.89 PPARA (0.44) PPARGPPARAPPARDADORA3TP53
SCHEMBL3285913 0.87 TPSAB1 (0.32) PPARGPPARAPPARD
SCHEMBL3846355 0.87 PPARG (0.37) PPARGPPARACNOT7ADORA3TP53
SCHEMBL3842827 0.86 PPARG (0.40) PPARGPPARAPPARDADORA3TP53
SCHEMBL3844324 0.86 PPARG (0.38) PPARGPPARAPPARDADORA3TP53
SCHEMBL3285113 0.86 PPARA (0.40) PPARGPPARATP53KDM4EHTT

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 4 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-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