SCHEMBL5507436

SCHEMBL5507436

CC(=O)Oc1ccc(CNc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.58
NR1H3 Q13133 16/20 0.58
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54

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
SCHEMBL5508555 0.90 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL28769033 0.89 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL5505556 0.88 NR1H2 (0.53) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3278045 0.86 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3279593 0.86 NR1H2 (0.68) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3279446 0.84 NR1H2 (0.58) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27673882 0.83 NR1H2 (0.78) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3279777 0.83 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL27673876 0.83 NR1H2 (0.79) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3282473 0.82 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO disclosed