SCHEMBL3716663

SCHEMBL3716663

O=C(NCc1cc(F)ccc1-c1ccccc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 4/20 0.44
PPARG P37231 4/20 0.43
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KCNA5 P22460 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 0.90 EPHX2 (0.49) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076533 0.85 MAPT (0.44) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL3724166 0.84 ALDH1A1 (0.46) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL3793849 0.81 MAPT (0.46) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL3719481 0.81 ALDH1A1 (0.46) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13075698 0.80 EPHX2 (0.45) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13075758 0.80 MAPT (0.45) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13075757 0.78 GRIN1 (0.51) EPHX2GRIN1GRIN2B
SCHEMBL3798181 0.78 EPHX2 (0.49) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076041 0.76 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 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 claimed