SCHEMBL8300436

SCHEMBL8300436

C[N+]1(c2ccc(-c3ccccc3/C=C3\NC(=O)CC3=O)cc2)C=NC=N1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
FLT3 P36888 2/20 0.31

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
SCHEMBL8304272 0.77 XDH (0.42)
SCHEMBL8300277 0.73
SCHEMBL8521740 0.72
SCHEMBL8299757 0.69 FLT3 (0.30) FLT3
SCHEMBL8304493 0.69 BRS3 (0.30)
SCHEMBL8300516 0.69 ACHE (0.31) ACHEBACE1FLT3
SCHEMBL8299747 0.68
SCHEMBL8299425 0.68
SCHEMBL8300519 0.68
SCHEMBL8302096 0.68 BRS3 (0.32)

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
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed