SCHEMBL8033972

SCHEMBL8033972

CC[C@@H](NC(=O)c1ccc(NCc2ncc(F)cc2F)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 11/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.42

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
SCHEMBL8032196 0.86 PPARG (0.60) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8034331 0.85 PPARG (0.57) PPARGMAPTKMT2AMEN1PKM
SCHEMBL8037846 0.85 PPARG (0.57) PPARGMAPTKMT2AMEN1PKM
SCHEMBL8034144 0.84 MAPT (0.66) PPARGMAPTKMT2AMEN1PKM
SCHEMBL4536851 0.84 MAPT (0.54) PPARGMAPTKMT2AMEN1PKM
SCHEMBL4540776 0.83 MAPT (0.63) MAPTKMT2AMEN1PKMMAPK1
SCHEMBL4534800 0.82 KMT2A (0.67) MAPTKMT2AMEN1PKMMAPK1
SCHEMBL4542097 0.82 PPARG (0.56) PPARGMAPTKMT2AMEN1MAPK1
SCHEMBL4530973 0.81 PPARG (0.54) PPARGCYP1A2CYP3A4MAPTKMT2A
SCHEMBL8041848 0.81 MAPT (0.56) PPARGMAPTKMT2AMEN1PKM

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