SCHEMBL5281583

SCHEMBL5281583

CCCCn1nnc(Br)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
SLC9A1 P19634 4/20 0.40
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK2A2 P19784 2/20 0.30
CSNK2B P67870 2/20 0.30
CSNK2A1 P68400 2/20 0.30
CSNK2A3 Q8NEV1 2/20 0.30
HTT P42858 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
SCHEMBL5279003 0.93 SLC9A1 (0.43) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5280513 0.89 GRM2 (0.40) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5326322 0.81 GRM2 (0.37) GRM2SLC9A1
SCHEMBL5324183 0.80 SLC9A1 (0.41) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5276049 0.80 SLC9A1 (0.45) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5278024 0.79 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5285042 0.79 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5277058 0.79 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5277134 0.77 SLC9A1 (0.39) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5282585 0.77 SLC9A1 (0.39) GRM2SLC9A1TOP2AHCAR3MEN1

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