SCHEMBL3798181

SCHEMBL3798181

O=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.49
PPARG P37231 6/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B13 Q7Z5P4 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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 0.93 EPHX2 (0.45) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL13075744 0.91 EPHX2 (0.50) EPHX2PPARGHSD17B13MEN1KMT2A
SCHEMBL13075740 0.91 HSD17B13 (0.49) EPHX2PPARGMAPTALDH1A1HSD17B13
SCHEMBL13075742 0.90 RORC (0.46) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL13075697 0.89 MAPT (0.45) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL3715664 0.89 EPHX2 (0.45) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL13076041 0.89 MAPT (0.45) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL3716666 0.89 EPHX2 (0.48) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL13076710 0.89 MEN1 (0.44) EPHX2PPARGPOLBMAPTALDH1A1
SCHEMBL13076709 0.89 EPHX2 (0.49) EPHX2PPARGHSD17B13MEN1KMT2A

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