SCHEMBL13075698

SCHEMBL13075698

O=C(NCc1cccnc1-c1ccc(F)cc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PPARG P37231 3/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
ENPP2 Q13822 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13076725 0.92 GRIN1 (0.50) EPHX2GRIN1GRIN2B
SCHEMBL3803815 0.85 EPHX2 (0.49) EPHX2MAPTALDH1A1POLBCNR2
SCHEMBL13075758 0.85 MAPT (0.45) EPHX2MAPTALDH1A1POLBCNR1
SCHEMBL13075759 0.84 MCHR1 (0.44) CNR1CNR2
SCHEMBL13076533 0.83 MAPT (0.44) EPHX2MAPTALDH1A1POLBPPARG
SCHEMBL13075757 0.82 GRIN1 (0.51) EPHX2GRIN1GRIN2B
SCHEMBL3724166 0.80 ALDH1A1 (0.46) EPHX2MAPTALDH1A1POLBCNR2
SCHEMBL3716663 0.80 ALDH1A1 (0.48) EPHX2MAPTALDH1A1POLBPPARG
SCHEMBL13076485 0.78 GRIN1 (0.50) EPHX2ALDH1A1CNR2PPARGGRIN1
SCHEMBL3793849 0.77 MAPT (0.46) EPHX2MAPTALDH1A1POLBCNR2

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