SCHEMBL5280663

SCHEMBL5280663

CCCn1nnc(C(C)(C)C)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5274641 0.90 SLC9A1 (0.37) SLC9A1GRM2
SCHEMBL5283287 0.87 SLC9A1 (0.40) SLC9A1ALDH1A1
SCHEMBL5276538 0.86 SLC9A1 (0.31) SLC9A1
SCHEMBL5278895 0.85 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5278652 0.85 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2
SCHEMBL5278614 0.82 SLC9A1 (0.32) SLC9A1
SCHEMBL5281356 0.82 SLC9A1 (0.32) SLC9A1
SCHEMBL5278277 0.77 SLC9A1 (0.33) SLC9A1
SCHEMBL5280296 0.77 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2
SCHEMBL5279348 0.77 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2

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