SCHEMBL3846355

SCHEMBL3846355

CCCCCCCn1c(=O)c(NCCc2cccc(SC(C)(CCC)C(=O)O)c2)nn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
CNOT7 Q9UIV1 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TPSAB1 Q15661 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
ADRA2A P08913 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL3849869 0.96 PPARG (0.38) PPARGPPARACNOT7KDM4EHTT
SCHEMBL3841974 0.91 PPARG (0.38) PPARGPPARACNOT7MEN1KMT2A
SCHEMBL3845660 0.90 S1PR1 (0.36) PPARGPPARACNOT7MEN1KMT2A
SCHEMBL3849410 0.89 PPARG (0.40) PPARGPPARACNOT7KDM4EADORA3
SCHEMBL3841397 0.87 PPARG (0.32) PPARGPPARATPSAB1
SCHEMBL3842931 0.87 PPARA (0.43) PPARGPPARAADORA3TP53
SCHEMBL3840290 0.87 PPARG (0.39) PPARGPPARACNOT7KDM4EHTT
SCHEMBL3843493 0.85 PPARG (0.37) PPARGPPARAADORA3TP53
SCHEMBL3285113 0.85 PPARA (0.40) PPARGPPARAMEN1KMT2AKDM4E
SCHEMBL3841112 0.84 PPARG (0.39) PPARGPPARAKDM4EADORA3TP53

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