SCHEMBL8037846

SCHEMBL8037846

CC[C@@H](NC(=O)c1ccc(NCc2ncc(Cl)cc2Cl)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.57
MAPT P10636 9/20 0.45
MAPK1 P28482 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 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
SCHEMBL4542097 0.89 PPARG (0.56) PPARGMAPTMAPK1RXFP1MEN1
SCHEMBL8035877 0.87 PPARG (0.56) PPARGMAPTMAPK1TAS1R3TAS1R1
SCHEMBL8032177 0.86 PPARG (0.60) PPARGTAS1R3TAS1R1
SCHEMBL8024491 0.85 PPARG (0.56) PPARGMAPTMAPK1TAS1R3TAS1R1
SCHEMBL8039661 0.85 MAPT (0.50) PPARGMAPTMAPK1RXFP1MEN1
SCHEMBL8033972 0.85 PPARG (0.57) PPARGMAPTMAPK1RXFP1MEN1
SCHEMBL4540776 0.83 MAPT (0.63) MAPTMAPK1RXFP1MEN1KMT2A
SCHEMBL8035392 0.82 PPARG (0.53) PPARGMAPTMAPK1MEN1KMT2A
SCHEMBL8036315 0.82 MEN1 (0.57) PPARGMAPTMAPK1MEN1KMT2A
SCHEMBL4530973 0.81 PPARG (0.54) PPARGMAPTMAPK1RXFP1MEN1

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