SCHEMBL6218593

SCHEMBL6218593

FC(F)(F)c1ccc(-c2nc3c(CSc4ccccc4)cccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.42
PPARD Q03181 9/20 0.42
PPARG P37231 7/20 0.42
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 2/20 0.37
KIF11 P52732 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
TP53 P04637 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
SCHEMBL13647505 0.86 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL6245155 0.81 PPARA (0.42) PPARAPPARDPPARGTNFNOD1
SCHEMBL5942862 0.81 PPARD (0.39) PPARAPPARDPPARG
SCHEMBL3931085 0.81 PPARD (0.47) PPARAPPARDPPARG
SCHEMBL3920688 0.80 KDM4E (0.43) PPARAPPARDPPARGTNFNOD1
SCHEMBL3917600 0.80 TNF (0.40) TNFNOD1MAPTKIF11NR1H4
SCHEMBL3927322 0.79 PPARD (0.53) PPARAPPARDPPARG
SCHEMBL3918923 0.79 PPARD (0.71) PPARAPPARDPPARG
SCHEMBL6249086 0.79 PPARD (0.45) PPARAPPARDPPARG
SCHEMBL13647507 0.79 PPARD (0.53) PPARAPPARDPPARG

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-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed