SCHEMBL3844604

SCHEMBL3844604

CCCCCCCn1nc(OCCCOc2cccc(SC(C)(C)C(=O)O)c2)c(=O)n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
PLA2G4B P0C869 3/20 0.36
SMPD1 P17405 4/20 0.35
HPGD P15428 1/20 0.35
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3844116 0.98 PLA2G4B (0.38) KMT2AALDH1A1PPARGPPARANPC1
SCHEMBL3844912 0.91 PPARG (0.35) KMT2AALDH1A1PPARGPPARANPC1
SCHEMBL3286825 0.91 PPARA (0.36) KMT2AALDH1A1PPARGPPARANPC1
SCHEMBL3287365 0.89 PPARA (0.36) KMT2AALDH1A1PPARGPPARAMEN1
SCHEMBL3846159 0.89 GGPS1 (0.36) KMT2AALDH1A1PPARGPPARANPC1
SCHEMBL3848033 0.89 PPARA (0.39) KMT2AALDH1A1PPARGPPARAMEN1
SCHEMBL3844829 0.88 SMPD1 (0.39) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL3841370 0.85 PPARA (0.48) KMT2AALDH1A1PPARGPPARANPC1
SCHEMBL3844113 0.83 ALOX5 (0.36) PPARGPPARAPLA2G4BCYSLTR2CYSLTR1
SCHEMBL3849240 0.83 PPARA (0.48) KMT2AALDH1A1PPARGPPARANPC1

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 2 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