SCHEMBL8304493

SCHEMBL8304493

CCCCC1(CCc2ccccc2)N=C[N+](C)(c2ccc(-c3ccccc3/C=C3\NC(=O)CC3=O)cc2)N1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.30

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
SCHEMBL8302096 0.77 BRS3 (0.32) BRS3
SCHEMBL8299757 0.74 FLT3 (0.30)
SCHEMBL8299747 0.71
SCHEMBL8303501 0.70
SCHEMBL8304354 0.69 ESR1 (0.30)
SCHEMBL8300436 0.69 ACHE (0.31)
SCHEMBL7657432 0.68 BRS3 (0.34) BRS3
SCHEMBL7656066 0.68 BRS3 (0.33) BRS3
SCHEMBL8300277 0.66
SCHEMBL7657698 0.65 GSK3B (0.32) BRS3

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