SCHEMBL3367181

SCHEMBL3367181

O=c1ccc2ccc(=O)n3c2n1CC3CN1CC[CH]CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37

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
SCHEMBL1433499 0.84 TOP2A (0.38) TOP2A
Hydrochloric Acid SCHEMBL335992 0.83 TOP2A (0.37) TOP2A
SCHEMBL3324013 0.81 TOP2A (0.33) TOP2A
SCHEMBL12746550 0.81 TOP2A (0.36) TOP2A
SCHEMBL3366842 0.81 TOP2A (0.54) TOP2A
SCHEMBL3324663 0.78 TOP2A (0.35) TOP2A
SCHEMBL3328189 0.78 TOP2A (0.40) TOP2A
SCHEMBL10128161 0.72
SCHEMBL10128141 0.72 KCNA3 (0.46) TOP2A
SCHEMBL3330445 0.72 TOP2A (0.53) TOP2A

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-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed