SCHEMBL5286360

SCHEMBL5286360

CCCCn1nnc(C(F)(F)C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
GRM2 Q14416 1/20 0.34
TOP2A P11388 1/20 0.33
HCAR3 P49019 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
SCHEMBL5280303 0.94 SLC9A1 (0.40) SLC9A1GRM2HCAR3
SCHEMBL5275135 0.92 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5277593 0.90 SLC9A1 (0.34) SLC9A1GRM2
SCHEMBL5276829 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5273577 0.88 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5290962 0.88 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5275403 0.87 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5281787 0.86 SLC9A1 (0.41) SLC9A1GRM2HCAR3
SCHEMBL5281734 0.85 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275918 0.85 SLC9A1 (0.34) SLC9A1GRM2TOP2A

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