SCHEMBL13075697

SCHEMBL13075697

Nc1ccc(CNC(=O)c2cc(=O)n(Cc3ccccc3)c(=O)[nH]2)c(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 12/20 0.44
PPARG P37231 9/20 0.44
S1PR3 Q99500 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38

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
SCHEMBL13076038 0.91 EPHX2 (0.45) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076539 0.91 EPHX2 (0.47) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL3798181 0.89 EPHX2 (0.49) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL3715664 0.89 EPHX2 (0.45) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL3716666 0.89 EPHX2 (0.48) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076041 0.89 MAPT (0.45) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075760 0.89 EPHX2 (0.47) ALDH1A1EPHX2HSD17B13
SCHEMBL13076532 0.88 ALDH1A1 (0.50) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076717 0.87 EPHX2 (0.55) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075691 0.86 POLB (0.40) MAPTPOLBALDH1A1EPHX2PPARG

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-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 WO disclosed