SCHEMBL8034302

SCHEMBL8034302

CCC(NC(=O)c1ccc(NCc2cccs2)c(N)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PPARG P37231 8/20 0.44
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
KCNA5 P22460 2/20 0.40
PKM P14618 1/20 0.40
HDAC1 Q13547 2/20 0.40
KCNK3 O14649 1/20 0.40

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
SCHEMBL8028605 1.00 POLB (0.45) POLBPPARGHPGDALDH1A1KDM4E
SCHEMBL8024501 0.86 POLB (0.46) POLBPPARGHPGDALDH1A1KDM4E
SCHEMBL4537762 0.85 PPARG (0.48) PPARGHPGDALDH1A1KDM4ELMNA
SCHEMBL8036319 0.85 MAPT (0.49) HPGDMAPTTHRBHTTPKM
SCHEMBL8022765 0.83 KCNK3 (0.50) PPARGHDAC1KCNK3
SCHEMBL8032490 0.83 PPARG (0.55) PPARGGAAHDAC1
SCHEMBL8034326 0.82 PPARG (0.48) PPARG
SCHEMBL8034344 0.81 PPARG (0.54) PPARGMAPTKCNA5HDAC1
SCHEMBL4538730 0.81 PPARG (0.57) PPARGALDH1A1KDM4EGAAMAPT
SCHEMBL4537211 0.80 KCNK3 (0.50) PPARGMAPTHDAC1KCNK3

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