SCHEMBL13076533

SCHEMBL13076533

O=C(NCc1cnccc1-c1ccc(F)cc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HASPIN Q8TF76 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.39
USP1 O94782 1/20 0.39
S1PR3 Q99500 1/20 0.39
EGLN1 Q9GZT9 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
SCHEMBL3803815 0.89 EPHX2 (0.49) MAPTALDH1A1POLBEPHX2PPARG
SCHEMBL3716663 0.85 ALDH1A1 (0.48) MAPTALDH1A1POLBEPHX2GRIN1
SCHEMBL3724166 0.83 ALDH1A1 (0.46) MAPTALDH1A1POLBEPHX2PPARG
SCHEMBL13075698 0.83 EPHX2 (0.45) MAPTALDH1A1POLBEPHX2GRIN1
SCHEMBL13075758 0.83 MAPT (0.45) MAPTALDH1A1POLBEPHX2GRIN1
SCHEMBL13075757 0.81 GRIN1 (0.51) EPHX2GRIN1GRIN2BHTTS1PR3
SCHEMBL3793849 0.80 MAPT (0.46) MAPTALDH1A1POLBEPHX2PPARG
SCHEMBL3719481 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBEPHX2PPARG
SCHEMBL13076720 0.75 EGFR (0.41) MAPTALDH1A1POLBEPHX2GRIN1
SCHEMBL13076485 0.75 GRIN1 (0.50) ALDH1A1EPHX2GRIN1GRIN2BHTT

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