SCHEMBL8034331

SCHEMBL8034331

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
MAPT P10636 11/20 0.52
MAPK1 P28482 4/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.47
XBP1 P17861 1/20 0.46
SLC6A9 P48067 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNA5 P22460 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
SCHEMBL4536851 0.92 MAPT (0.54) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8034146 0.91 PPARG (0.57) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8034156 0.91 MAPT (0.51) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8034144 0.88 MAPT (0.66) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8033972 0.85 PPARG (0.57) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8038556 0.85 PPARG (0.61) PPARGSLC6A9KCNA5
SCHEMBL4540776 0.85 MAPT (0.63) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL4534800 0.85 KMT2A (0.67) MAPTMAPK1KMT2AMEN1PKM
SCHEMBL8040491 0.85 PPARG (0.55) PPARGMAPTMAPK1KMT2AMEN1
SCHEMBL8024491 0.84 PPARG (0.56) PPARGMAPTMAPK1KMT2AMEN1

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