SCHEMBL8035322

SCHEMBL8035322

COC(=O)c1ccc2c(c1)nc(C1CC1)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.65
KDM4E B2RXH2 1/20 0.49
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
JAK3 P52333 3/20 0.48
RORC P51449 2/20 0.46
SOS1 Q07889 1/20 0.45

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
SCHEMBL8039286 0.87 PPARG (0.67) PPARGJAK2JAK1TYK2JAK3
SCHEMBL4532827 0.85 PPARG (0.68) PPARGKDM4ERORC
SCHEMBL8036202 0.83 PPARG (0.65) PPARGKDM4E
SCHEMBL8039653 0.82 PPARG (0.66) PPARGKDM4E
SCHEMBL4540880 0.82 PPARG (0.50) PPARGKDM4E
SCHEMBL8037645 0.79 PPARG (1.00) PPARG
SCHEMBL8037684 0.79 PPARG (1.00) PPARG
SCHEMBL8025911 0.75 KDM4E (0.70) PPARGKDM4E
SCHEMBL2100541 0.74 KDM4E (0.55) PPARGKDM4E
SCHEMBL4535196 0.73 PPARG (0.72) PPARGRORC

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
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed