SCHEMBL3848287

SCHEMBL3848287

Cn1c(=O)c(NCCCOc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.41
PPARD Q03181 10/20 0.41
PPARG P37231 12/20 0.41
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3844320 0.90 PPARA (0.40) PPARAPPARDPPARG
SCHEMBL3841422 0.90 PKM (0.34) PPARAPPARDPPARGLMNAHTT
SCHEMBL3289571 0.90 PPARA (0.39) PPARAPPARDPPARGLMNAHTT
SCHEMBL3844508 0.89 PPARA (0.49) PPARAPPARDPPARGSMN1; SMN2
SCHEMBL3842013 0.88 PPARG (0.44) PPARAPPARDPPARGLMNAHTT
SCHEMBL3844532 0.88 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL3844301 0.86 PPARG (0.39) PPARAPPARDPPARG
SCHEMBL3848920 0.86 PPARG (0.43) PPARAPPARDPPARGLMNAHTT
SCHEMBL3845626 0.84 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL3846682 0.83 PPARA (0.48) PPARAPPARDPPARG

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