SCHEMBL28624602

SCHEMBL28624602

CNCCOc1cc(O)c2c3c(oc2c1)C(=O)c1ncccc1C3=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.52
▸ TDP2 O95551 18/20 0.46
▸ TERT O14746 1/20 0.40

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
SCHEMBL28629193 0.85 TOP1 (0.72) TOP1TDP2
SCHEMBL28621891 0.81 APP (0.49) TOP1TDP2
SCHEMBL3270938 0.74 TERT (0.52) TOP1TERT
SCHEMBL28626463 0.73 TOP1 (0.51) TOP1TDP2
SCHEMBL15942094 0.72 TOP1 (0.55) TOP1TERT
SCHEMBL15950982 0.65 APP (0.61) —
SCHEMBL17912288 0.63 TDP2 (1.00) TDP2
SCHEMBL17918933 0.62 TDP2 (0.80) TDP2
SCHEMBL8545907 0.61 TDP2 (0.59) TDP2
SCHEMBL17912291 0.61 TDP2 (0.90) TDP2

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
CN-108484617-B Novel benzofuran azanaphthalene dione derivative and preparation method thereof 爱斯特(成都)生物制药股份有限公司 2021-08-31 — — CN disclosed
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