SCHEMBL13076041

SCHEMBL13076041

O=C(NCc1ccc(-c2ccccc2)cc1OC(F)(F)F)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 10/20 0.44
PPARG P37231 8/20 0.44
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 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
SCHEMBL13075687 0.93 EPHX2 (0.44) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075686 0.92 POLB (0.42) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076524 0.92 MAPT (0.46) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076720 0.92 EGFR (0.41) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075693 0.91 POLB (0.41) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075688 0.91 MAPT (0.47) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076043 0.91 ROCK2 (0.47) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076529 0.91 MAPT (0.41) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13075695 0.90 EPHX2 (0.42) MAPTPOLBALDH1A1EPHX2PPARG
SCHEMBL13076046 0.90 ALDH1A1 (0.41) 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