SCHEMBL3844402

SCHEMBL3844402

CCCC(C)(Oc1cccc(CCCCNc2nn(CCC#N)c(=O)n(CCCC(F)(F)F)c2=O)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 1/20 0.38
PCSK9 Q8NBP7 1/20 0.33
KCNH2 Q12809 3/20 0.33
CYP2D6 P10635 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR1 P21554 1/20 0.31
GLS O94925 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
SCHEMBL3844910 0.94 PPARA (0.41) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3848276 0.93 PPARA (0.44) PPARAPPARGPPARDLMNAMAPT
SCHEMBL3842928 0.93 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3840924 0.92 PPARA (0.43) PPARAPPARGPPARDPCSK9
SCHEMBL3844859 0.92 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3840771 0.91 PPARA (0.45) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3845277 0.91 PPARA (0.45) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3840684 0.90 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3844889 0.89 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3849215 0.89 PPARA (0.45) PPARAPPARGPPARDPCSK9KCNH2

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