SCHEMBL9755793

SCHEMBL9755793

O=C1C2=C(COC(C(=O)C3CC4C(=O)c5cc6ccccc6c(O)c5C(=O)C4=CO3)C2)C(=O)c2c1cc1ccccc1c2O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.32

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
SCHEMBL9755794 0.86 NQO1 (0.42) NQO1
SCHEMBL8900149 0.80 AKT1 (0.34)
SCHEMBL8903328 0.78 NQO1 (0.40) NQO1
SCHEMBL8903047 0.78 NQO1 (0.40) NQO1
SCHEMBL8901552 0.76 NQO1 (0.38) NQO1
SCHEMBL8901762 0.76 NQO1 (0.38) NQO1
SCHEMBL9521692 0.76
SCHEMBL8901512 0.73 NQO1 (0.36) NQO1
SCHEMBL9521049 0.69 NQO1 (0.39) NQO1
SCHEMBL9520799 0.69 NQO1 (0.39) NQO1

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-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO claimed