SCHEMBL17853902

SCHEMBL17853902

COc1ccc2c(c1)C(CC(=O)NCC1=CC=CCC1)=C(C)/C2=C/c1cnc(N(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
PPARG P37231 6/20 0.38
RXRA P19793 2/20 0.35
CA12 O43570 5/20 0.35
CA4 P22748 5/20 0.35
CA9 Q16790 5/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17847815 0.81 PPARG (0.42) MAOBPPARGRXRACA12CA4
SCHEMBL17847820 0.81 PPARG (0.42) MAOBPPARGRXRACA12CA4
SCHEMBL17847897 0.80 HPGD (0.46) MAOBPPARGALDH1A1
SCHEMBL17847896 0.80 HPGD (0.46) MAOBPPARGALDH1A1
SCHEMBL20409059 0.80 RXRA (0.42) MAOBPPARGRXRACA12CA4
SCHEMBL17853898 0.78 PPARG (0.58) MAOBPPARGRXRAALDH1A1
SCHEMBL17847722 0.71 HPGD (0.43) PPARGALDH1A1
SCHEMBL17847723 0.71 HPGD (0.43) PPARGALDH1A1
SCHEMBL21376109 0.70 LCK (0.38) PPARGRXRACA12CA4CA9
SCHEMBL22109777 0.69 HPGD (0.45) PPARGALDH1A1

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-2016100546-A1 METHOD OF TREATING OR PREVENTING RAS-MEDIATED DISEASES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2016100542-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed