SCHEMBL3841330

SCHEMBL3841330

CCCCCCCn1nc(NCCCCc2cccc(SC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.38
PPARA Q07869 7/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TP53 P04637 1/20 0.36
PPARD Q03181 2/20 0.34
SMPD1 P17405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDE P14735 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL3842355 0.93 PPARG (0.41) PPARGPPARAMAOAMAOBTP53
SCHEMBL3842827 0.91 PPARG (0.40) PPARGPPARATP53PPARDSMPD1
SCHEMBL3840985 0.91 PPARG (0.36) PPARGPPARAMAOAMAOBTP53
SCHEMBL3292854 0.91 PPARA (0.42) PPARGPPARAMAOAMAOBTP53
SCHEMBL3841181 0.89 MAOA (0.35) PPARAMAOAMAOBPPARDSLC22A12
SCHEMBL3844324 0.88 PPARG (0.38) PPARGPPARATP53PPARD
SCHEMBL3843417 0.87 PPARA (0.44) PPARGPPARATP53PPARDSLC22A12
SCHEMBL3844823 0.87 PPARG (0.42) PPARGPPARAMAOAMAOBTP53
SCHEMBL3840290 0.85 PPARG (0.39) PPARGPPARATP53PPARDKDM4E
SCHEMBL3285318 0.85 PPARG (0.41) PPARGPPARAMAOAMAOBTP53

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