SCHEMBL8024491

SCHEMBL8024491

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
MAPT P10636 9/20 0.50
MAPK1 P28482 3/20 0.50
ATM Q13315 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 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
SCHEMBL8034156 0.91 MAPT (0.51) PPARGSMN1; SMN2MAPTMAPK1ATM
SCHEMBL8034146 0.91 PPARG (0.57) PPARGSMN1; SMN2TAS1R3TAS1R1MAPT
SCHEMBL8039661 0.87 MAPT (0.50) PPARGMAPTMAPK1ATMMEN1
SCHEMBL8037846 0.85 PPARG (0.57) PPARGTAS1R3TAS1R1MAPTMAPK1
SCHEMBL8042117 0.85 PPARG (0.59) PPARGTAS1R3TAS1R1HDAC1HDAC8
SCHEMBL4540776 0.85 MAPT (0.63) MAPTMAPK1ATMMEN1KMT2A
SCHEMBL8035392 0.85 PPARG (0.53) PPARGMAPTMAPK1ATMMEN1
SCHEMBL4536851 0.84 MAPT (0.54) PPARGMAPTMAPK1ATMMEN1
SCHEMBL8036315 0.84 MEN1 (0.57) PPARGMAPTMAPK1ATMMEN1
SCHEMBL8035877 0.84 PPARG (0.56) PPARGTAS1R3TAS1R1MAPTMAPK1

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