SCHEMBL5281485

SCHEMBL5281485

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5275655 0.91 SLC9A1 (0.35) SLC9A1
SCHEMBL5273266 0.88 SLC9A1 (0.38) SLC9A1
SCHEMBL5276779 0.87 ALDH1A1 (0.32) ALDH1A1HPGDTDP1
SCHEMBL5282386 0.87 SLC9A1 (0.33) SLC9A1ALDH1A1HPGDTDP1
SCHEMBL5275817 0.82 SLC9A1 (0.34) SLC9A1ALDH1A1HPGDTDP1
SCHEMBL5277432 0.81 CTSK (0.33) SLC9A1ALDH1A1
SCHEMBL5278549 0.79 SLC9A1 (0.33) SLC9A1
SCHEMBL5276236 0.78
SCHEMBL5287796 0.78 SLC9A1 (0.36) SLC9A1ALDH1A1HPGDTDP1
SCHEMBL5281000 0.77 SLC9A1 (0.35) SLC9A1ALDH1A1

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