SCHEMBL8034156

SCHEMBL8034156

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
MAPK1 P28482 3/20 0.49
PPARG P37231 5/20 0.47
KCNA5 P22460 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL8034331 0.91 PPARG (0.57) MAPTMAPK1PPARGKCNA5KMT2A
SCHEMBL8024491 0.91 PPARG (0.56) MAPTMAPK1PPARGKMT2AMEN1
SCHEMBL8034146 0.88 PPARG (0.57) MAPTMAPK1PPARGKCNA5KMT2A
SCHEMBL4536851 0.87 MAPT (0.54) MAPTMAPK1PPARGKMT2AMEN1
SCHEMBL8034144 0.87 MAPT (0.66) MAPTMAPK1PPARGKMT2AMEN1
SCHEMBL8045581 0.86 PPARG (0.50) PPARGKCNA5
SCHEMBL8039661 0.86 MAPT (0.50) MAPTMAPK1PPARGKMT2AMEN1
SCHEMBL8036315 0.84 MEN1 (0.57) MAPTMAPK1PPARGKMT2AMEN1
SCHEMBL4540776 0.83 MAPT (0.63) MAPTMAPK1KMT2AMEN1ATM
SCHEMBL8040491 0.83 PPARG (0.55) MAPTMAPK1PPARGKMT2AMEN1

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