SCHEMBL5284970

SCHEMBL5284970

CCCCn1nnc(C#N)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
GRIA4 P48058 1/20 0.32
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL5286196 0.94 SLC9A1 (0.39) SLC9A1GRIA4HCAR3
SCHEMBL5274202 0.90 GRIA4 (0.39) SLC9A1GRM2GRIA4ALDH1A1
SCHEMBL5278982 0.85 SLC9A1 (0.39) SLC9A1GRM2GRIA4TOP2AALDH1A1
SCHEMBL5274892 0.85 ALDH1A1 (0.40) SLC9A1GRM2GRIA4TOP2AALDH1A1
SCHEMBL5276068 0.85 GRIA1 (0.36) GRIA4ALDH1A1
SCHEMBL5281023 0.83 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5280839 0.79 SLC9A1 (0.42) SLC9A1GRM2ALDH1A1MAPK1HCAR3
SCHEMBL5276344 0.79 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5280676 0.79 SLC9A1 (0.42) SLC9A1GRM2ALDH1A1MAPK1HCAR3
SCHEMBL5275824 0.79 ALDH1A1 (0.40) SLC9A1GRM2GRIA4ALDH1A1MAPK1

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