SCHEMBL5282075

SCHEMBL5282075

CCCn1nnc(CC(C)C)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SLC9A1 P19634 1/20 0.31
TOP2A P11388 1/20 0.30

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
SCHEMBL5276221 0.91 SLC9A1 (0.34) SLC9A1TOP2A
SCHEMBL5286986 0.89 SLC9A1 (0.37) LMNAALDH1A1SLC9A1
SCHEMBL5278429 0.88 GRIA1 (0.31) GRIA4LMNA
SCHEMBL5284112 0.84 SLC9A1 (0.34) GRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5275930 0.83 SMN1; SMN2 (0.39) GRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5276708 0.81 PKM (0.32) ALDH1A1
SCHEMBL5278499 0.80 SMN1; SMN2 (0.32) ALDH1A1SLC9A1TOP2A
SCHEMBL5281297 0.79 ALDH1A1 (0.31) ALDH1A1SLC9A1TOP2A
SCHEMBL5280863 0.78 LMNA (0.34) GRIA4LMNAALDH1A1SLC9A1TOP2A
SCHEMBL5278620 0.76 NPC1 (0.31)

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed