SCHEMBL5281000

SCHEMBL5281000

CCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)c1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 2/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
TOP2A P11388 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
SCHEMBL5273417 0.91 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5277843 0.91 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5277009 0.90 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5286218 0.90 SLC9A1 (0.33) SLC9A1ALDH1A1GRM2CYP1A2
SCHEMBL5276092 0.90 SLC9A1 (0.38) SLC9A1GRM2TOP2A
SCHEMBL5284435 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL5279922 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL5278425 0.87 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2
SCHEMBL5274378 0.85 SLC9A1 (0.31) SLC9A1
SCHEMBL5279544 0.85 SLC9A1 (0.31) SLC9A1

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