SCHEMBL5347967

SCHEMBL5347967

CCn1nnc([N+](=O)[O-])c1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 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
SCHEMBL5279885 0.88 GRIA4 (0.40) GRIA4ALDH1A1
SCHEMBL5276968 0.85 SLC9A1 (0.34) GRIA4ALDH1A1NPC1
SCHEMBL5277744 0.83 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5283505 0.83 SLC9A1 (0.37) GRIA4ALDH1A1
SCHEMBL5278080 0.80 SMN1; SMN2 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5275307 0.80 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5283309 0.79 LMNA (0.30)
SCHEMBL5276676 0.77 GRIA1 (0.31) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5275394 0.77 MEN1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5274945 0.77 ALDH1A1 (0.32) ALDH1A1NPC1

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