SCHEMBL13075757

SCHEMBL13075757

O=C(NCc1ccccc1-c1ccc(F)cc1)c1cc(=O)n(Cc2ccccn2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.51
GRIN2B Q13224 7/20 0.51
EPHX2 P34913 2/20 0.49
LIPG Q9Y5X9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
S1PR3 Q99500 2/20 0.40
NOX4 Q9NPH5 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
SYK P43405 1/20 0.39
GRM5 P41594 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
SCHEMBL13076725 0.90 GRIN1 (0.50) GRIN1GRIN2BEPHX2SMN1; SMN2S1PR3
SCHEMBL13076485 0.90 GRIN1 (0.50) GRIN1GRIN2BEPHX2SMN1; SMN2LMNA
SCHEMBL3803815 0.88 EPHX2 (0.49) EPHX2LIPG
SCHEMBL13076473 0.82 EPHX2 (0.53) EPHX2
SCHEMBL13075758 0.82 MAPT (0.45) GRIN1GRIN2BEPHX2
SCHEMBL13075698 0.82 EPHX2 (0.45) GRIN1GRIN2BEPHX2
SCHEMBL13076533 0.81 MAPT (0.44) GRIN1GRIN2BEPHX2HTTS1PR3
SCHEMBL3716663 0.78 ALDH1A1 (0.48) GRIN1GRIN2BEPHX2
SCHEMBL3722318 0.78 CD274 (0.46) LIPG
SCHEMBL3724166 0.77 ALDH1A1 (0.46) EPHX2

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