SCHEMBL8035877

SCHEMBL8035877

CC[C@@H](NC(=O)c1ccc(NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.56
MAPT P10636 8/20 0.46
MAPK1 P28482 3/20 0.46
ATM Q13315 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL4530973 0.88 PPARG (0.54) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL8037846 0.87 PPARG (0.57) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL8032181 0.86 PPARG (0.59) PPARGTAS1R3TAS1R1
SCHEMBL8024491 0.84 PPARG (0.56) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL8039661 0.84 MAPT (0.50) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL4540776 0.83 MAPT (0.63) MAPTMAPK1ATMRXFP1MEN1
SCHEMBL4542097 0.83 PPARG (0.56) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL8034146 0.83 PPARG (0.57) PPARGMAPTMAPK1ATMRXFP1
SCHEMBL8035392 0.81 PPARG (0.53) PPARGMAPTMAPK1ATMMEN1
SCHEMBL8041848 0.81 MAPT (0.56) PPARGMAPTMAPK1ATMRXFP1

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