SCHEMBL5280277

SCHEMBL5280277

CCn1nnc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
NPC1 O15118 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
SCHEMBL5282163 0.88 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5283991 0.88 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5275792 0.86 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5276820 0.86 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5277885 0.86 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5275803 0.86 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5278286 0.84 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2
SCHEMBL5273363 0.83
SCHEMBL5282575 0.83
SCHEMBL5273577 0.81 SLC9A1 (0.40) SLC9A1GRM2

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