SCHEMBL3724166

SCHEMBL3724166

O=C(NCc1cscc1-c1ccc(F)cc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 4/20 0.44
KMT2A Q03164 1/20 0.41
PPARG P37231 5/20 0.41
CNR2 P34972 1/20 0.39
TRPA1 O75762 1/20 0.38
PLA2G7 Q13093 1/20 0.38
BRD4 O60885 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3803815 0.88 EPHX2 (0.49) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL3716663 0.84 ALDH1A1 (0.48) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL3793849 0.84 MAPT (0.46) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL13076533 0.83 MAPT (0.44) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL3719481 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL13075758 0.80 MAPT (0.45) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL13075698 0.80 EPHX2 (0.45) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL13075757 0.77 GRIN1 (0.51) EPHX2
SCHEMBL3798181 0.75 EPHX2 (0.49) ALDH1A1MAPTPOLBEPHX2KMT2A
SCHEMBL13076041 0.73 MAPT (0.45) ALDH1A1MAPTPOLBEPHX2PPARG

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 3 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 claimed
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