SCHEMBL5280110

SCHEMBL5280110

CCCCn1nnc(C(F)(F)F)c1CC(C)(C)C

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
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HCAR3 P49019 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
SCHEMBL5276795 0.94 SLC9A1 (0.39) SLC9A1LMNAHTTHCAR3
SCHEMBL5278901 0.89 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5277440 0.88 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5273625 0.87 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5281116 0.85 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5284621 0.85 SLC9A1 (0.39) SLC9A1GRM2TOP2ALMNATSHR
SCHEMBL5279899 0.84 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5281737 0.83 GRIA1 (0.30) SLC9A1
SCHEMBL5282523 0.83 SLC9A1 (0.42) SLC9A1GRM2LMNAHTTHCAR3
SCHEMBL5282128 0.82 SLC9A1 (0.38) SLC9A1HCAR3

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