SCHEMBL3840686

SCHEMBL3840686

CCCCCCC(NCCCCOc1cccc(SC(C)(C)C(=O)OCC)c1)c1nn(C)c(=O)n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMPD1 P17405 3/20 0.33
CYP2D6 P10635 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
SLC2A1 P11166 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL3842934 0.89 SLC2A1 (0.38) MAPK1L3MBTL1SMPD1PPARGPPARA
SCHEMBL3840687 0.81 POLB (0.36) MAPK1CYP2D6PPARGPPARAGAA
SCHEMBL3284699 0.80 THRA (0.36) SMPD1CYP2D6PPARGPPARACYSLTR2
SCHEMBL3844501 0.80 KDM4E (0.35) MAPK1CYP2D6PPARGPPARAGAA
SCHEMBL3291240 0.79 PPARA (0.35) SMPD1CYP2D6PPARGPPARAMAOA
SCHEMBL3287365 0.79 PPARA (0.36) SMPD1PPARGPPARACYSLTR2CYSLTR1
SCHEMBL3286825 0.77 PPARA (0.36) SMPD1PPARGPPARASMN1; SMN2MAOA
SCHEMBL3845612 0.74 PPARA (0.42) PPARGPPARA
SCHEMBL3841106 0.72 THRA (0.38) SMPD1CYSLTR2CYSLTR1
SCHEMBL3844113 0.72 ALOX5 (0.36) PPARGPPARACYSLTR2CYSLTR1SMN1; SMN2

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 1 patent. 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