SCHEMBL5274202

SCHEMBL5274202

CCCn1nnc(C#N)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.39
SLC9A1 P19634 1/20 0.33
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 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
SCHEMBL5284970 0.90 SLC9A1 (0.36) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5276068 0.88 GRIA1 (0.36) GRIA4ALDH1A1
SCHEMBL5286196 0.88 SLC9A1 (0.39) GRIA4SLC9A1
SCHEMBL5280172 0.84 GRIA4 (0.39) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5277800 0.82 SLC9A1 (0.37) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5275824 0.81 ALDH1A1 (0.40) GRIA4SLC9A1ALDH1A1GRM2
SCHEMBL5284138 0.81 GRIA1 (0.33) GRIA4
SCHEMBL5281984 0.78 SLC9A1 (0.34) GRIA4SLC9A1HSD17B10ALDH1A1GRM2
SCHEMBL5283283 0.77 GRIA4 (0.42) GRIA4SLC9A1HSD17B10ALDH1A1GRM2
SCHEMBL5283272 0.77 GRIA4 (0.42) GRIA4SLC9A1HSD17B10ALDH1A1GRM2

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