SCHEMBL5287091

SCHEMBL5287091

CCCCc1c(C(F)(F)C(F)(F)F)nnn1CCCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32
HCAR3 P49019 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5278108 0.94 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5281061 0.94 GRIA4 (0.32) SLC9A1MAOB
SCHEMBL5273813 0.94 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5286391 0.89 GABRA2 (0.30)
SCHEMBL5279353 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5284621 0.89 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5277160 0.88 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5277440 0.85 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5274966 0.84 MAOB (0.40) MAOB
SCHEMBL5286913 0.84 SLC9A1 (0.33) 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