SCHEMBL3840684

SCHEMBL3840684

CCCC(C)(Oc1cccc(CCCCNc2nn(CCCC(F)(F)F)c(=O)n(Cc3ccccc3)c2=O)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 2/20 0.42
PCSK9 Q8NBP7 1/20 0.36
KCNH2 Q12809 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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

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
SCHEMBL3841458 0.98 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3844910 0.96 PPARA (0.41) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3842928 0.95 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3844859 0.93 PPARA (0.42) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3840771 0.93 PPARA (0.45) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3845277 0.93 PPARA (0.45) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3848279 0.93 PPARA (0.47) PPARAPPARGPPARDMAPTLMNA
SCHEMBL3842294 0.92 PPARA (0.41) PPARAPPARGPPARDPCSK9KCNH2
SCHEMBL3841355 0.91 PPARA (0.47) PPARAPPARGPPARDPCSK9
SCHEMBL3844392 0.91 PPARA (0.38) 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