SCHEMBL5281379

SCHEMBL5281379

CCCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)c1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
SLC9A1 P19634 4/20 0.37
TOP2A P11388 1/20 0.35
HCAR3 P49019 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 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
SCHEMBL5280852 0.94 SLC9A1 (0.40) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5278846 0.90 GRM2 (0.37) GRM2SLC9A1TOP2A
SCHEMBL5282497 0.88 GRM2 (0.43) GRM2SLC9A1TOP2AHCAR3CSNK2A2
SCHEMBL5276428 0.83 GRM2 (0.34) GRM2SLC9A1
SCHEMBL5283149 0.82 SLC9A1 (0.43) GRM2SLC9A1TOP2AHCAR3CSNK2A2
SCHEMBL5278355 0.82 SLC9A1 (0.38) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5276092 0.82 SLC9A1 (0.38) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5276370 0.82 SLC9A1 (0.38) GRM2SLC9A1TOP2AHCAR3
SCHEMBL5272953 0.81 GRM2 (0.43) GRM2SLC9A1TOP2AHCAR3CSNK2A2
SCHEMBL5276137 0.81 SLC9A1 (0.37) GRM2SLC9A1TOP2AHCAR3

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