SCHEMBL8034146

SCHEMBL8034146

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 10/20 0.49
MAPK1 P28482 3/20 0.49
ATM Q13315 2/20 0.46
KCNA5 P22460 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 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) PPARGMEN1KMT2APKMMAPT
SCHEMBL8024491 0.91 PPARG (0.56) PPARGMEN1KMT2APKMMAPT
SCHEMBL4536851 0.90 MAPT (0.54) PPARGMEN1KMT2APKMMAPT
SCHEMBL8034156 0.88 MAPT (0.51) PPARGMEN1KMT2APKMMAPT
SCHEMBL8036315 0.86 MEN1 (0.57) PPARGMEN1KMT2APKMMAPT
SCHEMBL8038553 0.86 PPARG (0.60) PPARGKCNA5TAS1R3TAS1R1
SCHEMBL8039661 0.86 MAPT (0.50) PPARGMEN1KMT2APKMMAPT
SCHEMBL4534800 0.85 KMT2A (0.67) MEN1KMT2APKMMAPTMAPK1
SCHEMBL4540776 0.83 MAPT (0.63) MEN1KMT2APKMMAPTMAPK1
SCHEMBL8034144 0.83 MAPT (0.66) PPARGMEN1KMT2APKMMAPT

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