SCHEMBL28501759

SCHEMBL28501759

O=C(CCN1CCCCC1)Nc1ccc2c(c1)/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)N2

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 15/20 0.70
▸ MAPK1 P28482 1/20 0.55
▸ FLT3 P36888 1/20 0.49
▸ TERT O14746 3/20 0.48

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
SCHEMBL8527905 0.77 PAK1 (0.79) PAK1MAPK1FLT3TERT
SCHEMBL700484 0.75 PIM1 (0.69) PAK1MAPK1FLT3
SCHEMBL700483 0.75 PIM1 (0.69) PAK1MAPK1FLT3
SCHEMBL8585959 0.75 PAK1 (0.70) PAK1MAPK1FLT3
SCHEMBL8585967 0.75 PAK1 (0.70) PAK1MAPK1FLT3
SCHEMBL32682829 0.74 PAK1 (0.66) PAK1MAPK1TERT
SCHEMBL8415627 0.74 PAK1 (1.00) PAK1MAPK1FLT3
SCHEMBL8415630 0.74 PAK1 (1.00) PAK1MAPK1FLT3
SCHEMBL8530470 0.73 PAK1 (0.72) PAK1MAPK1TERT
SCHEMBL31380874 0.73 PAK1 (0.80) PAK1MAPK1FLT3TERT

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-112174943-A Application of indole-2-ketone compound in preparation of oral bacteria prevention and treatment product 四川大学 2021-01-05 — — CN disclosed
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