SCHEMBL5278570

SCHEMBL5278570

CCCn1nnc(C(F)(F)C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SLC9A1 P19634 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
SCHEMBL5283639 0.92 SLC9A1 (0.33) SLC9A1
SCHEMBL5282471 0.89 SLC9A1 (0.36) ALDH1A1SLC9A1
SCHEMBL5279750 0.88 ALDH1A1 (0.37) ALDH1A1SLC9A1
SCHEMBL5280233 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5280475 0.83 MAPT (0.36) ALDH1A1SLC9A1
SCHEMBL5280161 0.82 ALDH1A1 (0.32) ALDH1A1SLC9A1
SCHEMBL5276494 0.80 PKM (0.32) ALDH1A1
SCHEMBL5281992 0.79 ALDH1A1 (0.35) ALDH1A1SLC9A1
SCHEMBL5280698 0.79 ALDH1A1 (0.31) ALDH1A1SLC9A1
SCHEMBL5279512 0.77 SLC9A1 (0.38) ALDH1A1SLC9A1

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