SCHEMBL11327997

SCHEMBL11327997

Cn1nnc2c1C(=O)C=CC2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36

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
SCHEMBL220236 0.78
SCHEMBL10328376 0.63 ALDH1A1 (0.34)
SCHEMBL19152726 0.62 PLK1 (0.38) TOP2A
SCHEMBL14347732 0.60 GRM5 (0.33) TOP2A
SCHEMBL11881836 0.57
SCHEMBL447698 0.55
SCHEMBL12033685 0.55
SCHEMBL1980267 0.54
SCHEMBL2069026 0.54
SCHEMBL19051338 0.53

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
US-4246104-A Pressure-hydrolytic treatment of effluent BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed