SCHEMBL5282533

SCHEMBL5282533

CCn1nnc(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5280863 0.87 LMNA (0.34) LMNAALDH1A1
SCHEMBL5283435 0.84 SLC9A1 (0.36) LMNA
SCHEMBL5279499 0.82 SLC9A1 (0.38) LMNAALDH1A1
SCHEMBL5278429 0.77 GRIA1 (0.31) LMNANPC1
SCHEMBL5274738 0.77 PKM (0.34)
SCHEMBL5284830 0.77 ALDH1A1 (0.36) NPC1ALDH1A1
SCHEMBL5289718 0.77 GRM2 (0.35) NPC1ALDH1A1
SCHEMBL5282394 0.77 NPC1 (0.34) LMNANPC1ALDH1A1
SCHEMBL5276969 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5276637 0.75 NPC1 (0.33) NPC1ALDH1A1

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