SCHEMBL5280972

SCHEMBL5280972

CCCCn1nnc(C#N)c1CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
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
SCHEMBL5277270 0.94 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5278367 0.90 SLC9A1 (0.33) SLC9A1GRM2ALDH1A1
SCHEMBL5274771 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5281023 0.83 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5274892 0.82 ALDH1A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5278982 0.82 SLC9A1 (0.39) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5276730 0.79 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5275676 0.79 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5278153 0.79 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277343 0.78

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