SCHEMBL4537201

SCHEMBL4537201

CC[C@@H](NC(=O)c1ccc(NCc2ccccn2)c(N)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.57
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNK3 O14649 2/20 0.42
CTRB1 P17538 1/20 0.42
HDAC1 Q13547 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8032181 0.87 PPARG (0.59) PPARGKDM4E
SCHEMBL4537762 0.85 PPARG (0.48) PPARGKDM4EMAPTHDAC1MAPK1
SCHEMBL8032490 0.85 PPARG (0.55) PPARGHDAC1MAPK1
SCHEMBL4530973 0.85 PPARG (0.54) PPARGCYP1A2CYP3A4MAPTMAPK1
SCHEMBL4538247 0.85 PPARG (0.59) PPARG
SCHEMBL8022765 0.83 KCNK3 (0.50) PPARGKCNK3HDAC1
SCHEMBL8038740 0.82 PPARG (0.57) PPARGMAPK1
SCHEMBL8034326 0.82 PPARG (0.48) PPARG
SCHEMBL8034344 0.81 PPARG (0.54) PPARGMAPTHDAC1
SCHEMBL4538730 0.81 PPARG (0.57) PPARGKDM4ECYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed