SCHEMBL8035392

SCHEMBL8035392

CC[C@@H](NC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
MAPT P10636 7/20 0.52
MAPK1 P28482 3/20 0.52
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 2/20 0.49

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
SCHEMBL8036315 0.92 MEN1 (0.57) PPARGMAPTMAPK1MEN1PKM
SCHEMBL4540776 0.90 MAPT (0.63) MAPTMAPK1MEN1PKMKMT2A
SCHEMBL8039661 0.88 MAPT (0.50) PPARGMAPTMAPK1MEN1PKM
SCHEMBL4534800 0.87 KMT2A (0.67) MAPTMAPK1MEN1PKMKMT2A
SCHEMBL8034144 0.87 MAPT (0.66) PPARGMAPTMAPK1MEN1PKM
SCHEMBL4536613 0.86 MAPT (0.55) MAPTMAPK1MEN1PKMKMT2A
SCHEMBL8041848 0.85 MAPT (0.56) PPARGMAPTMAPK1MEN1PKM
SCHEMBL8034539 0.85 PPARG (0.56) PPARG
SCHEMBL8024491 0.85 PPARG (0.56) PPARGMAPTMAPK1MEN1PKM
SCHEMBL4542097 0.83 PPARG (0.56) PPARGMAPTMAPK1MEN1KMT2A

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