SCHEMBL5276708

SCHEMBL5276708

CC(C)Cc1nnn(C)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL5278620 0.81 NPC1 (0.31) NPC1MAPT
SCHEMBL5282075 0.81 GRIA4 (0.34) ALDH1A1
SCHEMBL5279970 0.80 PKM (0.34) PKMNPC1MAPTALDH1A1
SCHEMBL5278429 0.80 GRIA1 (0.31) NPC1MAPT
SCHEMBL5276221 0.79 SLC9A1 (0.34)
SCHEMBL5275847 0.77 SMN1; SMN2 (0.44) PKM
SCHEMBL5286986 0.76 SLC9A1 (0.37) MAPTALDH1A1
SCHEMBL5275972 0.76 PKM (0.32) PKM
SCHEMBL5274979 0.75 MAOB (0.38) PKMALDH1A1
SCHEMBL5274738 0.73 PKM (0.34) PKMMAPT

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