SCHEMBL5280863

SCHEMBL5280863

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GRIA4 P48058 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC9A1 P19634 1/20 0.33
TOP2A P11388 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR3 P49019 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
SCHEMBL5283435 0.91 SLC9A1 (0.36) LMNASLC9A1TOP2AHCAR3
SCHEMBL5279499 0.88 SLC9A1 (0.38) LMNAALDH1A1SLC9A1HCAR3
SCHEMBL5282533 0.87 LMNA (0.33) LMNAALDH1A1
SCHEMBL5282075 0.78 GRIA4 (0.34) LMNAGRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5285281 0.78 ALDH1A1 (0.36) LMNAGRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5283087 0.78 GRM2 (0.38) LMNAGRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5279828 0.78 SLC9A1 (0.35) LMNAGRIA4ALDH1A1SLC9A1TOP2A
SCHEMBL5274738 0.78 PKM (0.34)
SCHEMBL5279426 0.77 TOP2A (0.36) GRIA4ALDH1A1SLC9A1TOP2AHCAR3
SCHEMBL5284112 0.77 SLC9A1 (0.34) GRIA4ALDH1A1SLC9A1TOP2AHCAR3

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