SCHEMBL5286957

SCHEMBL5286957

CCn1nnc(Cl)c1C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
NPC1 O15118 1/20 0.32
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5278756 0.84 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5273384 0.84 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5278450 0.83 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5273680 0.82 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5274609 0.81 SLC9A1 (0.40) SLC9A1TOP2AGRM2
SCHEMBL5276075 0.79 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5287468 0.79 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5283140 0.79 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5276442 0.78 SLC9A1 (0.43) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5276267 0.78 SLC9A1 (0.32) SLC9A1NPC1TOP2A

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