SCHEMBL3844508

SCHEMBL3844508

Cn1c(=O)c(NCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.49
PPARG P37231 10/20 0.49
PPARD Q03181 9/20 0.49
ALDH1A1 P00352 1/20 0.41
FABP2 P12104 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB3 P13945 1/20 0.40

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
SCHEMBL3840894 0.90 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL3283966 0.90 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3848287 0.89 PPARA (0.41) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3843762 0.88 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL3849260 0.88 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL3845626 0.85 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL3846682 0.85 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL3841314 0.84 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL3292798 0.84 TBXAS1 (0.36) PPARAPPARGPPARDALDH1A1
SCHEMBL3842837 0.83 PPARA (0.49) PPARAPPARGPPARD

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