SCHEMBL5273680

SCHEMBL5273680

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
GABRB3 P28472 3/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL5280920 0.85 SLC9A1 (0.36) SLC9A1GABRB3GABRA2GABRB2
SCHEMBL5283140 0.85 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5280786 0.82 SLC9A1 (0.39) SLC9A1GABRA2GABRB2
SCHEMBL5278450 0.82 SLC9A1 (0.33) SLC9A1NPC1
SCHEMBL5286957 0.82 SLC9A1 (0.33) SLC9A1NPC1
SCHEMBL5279831 0.79 SLC9A1 (0.42) SLC9A1GABRA2GABRB2
SCHEMBL5278756 0.78 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5283262 0.78 SLC9A1 (0.33) SLC9A1NPC1
SCHEMBL5278007 0.78 GABRB3 (0.34) SLC9A1NPC1GABRB3
SCHEMBL5280277 0.78 SLC9A1 (0.33) SLC9A1NPC1

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