SCHEMBL8037682

SCHEMBL8037682

Cc1nc2cc(C(=O)NC(C)(C)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.72
RORC P51449 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL4535196 0.82 PPARG (0.72) PPARGRORC
SCHEMBL8035508 0.81 PPARG (1.00) PPARGRORC
SCHEMBL8037681 0.81 PPARG (1.00) PPARGRORC
SCHEMBL4564570 0.80 PPARG (1.00) PPARG
SCHEMBL8035491 0.80 PPARG (1.00) PPARG
SCHEMBL8045639 0.80 PPARG (1.00) PPARG
SCHEMBL4532827 0.79 PPARG (0.68) PPARGRORCHDAC1HDAC6
SCHEMBL8042319 0.77 PPARG (0.79) PPARG
SCHEMBL3040156 0.76 IMPDH2 (0.54)
SCHEMBL8024565 0.75 PPARG (0.87) PPARG

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