SCHEMBL5283304

SCHEMBL5283304

CCCCn1nnc(Br)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.45
SLC9A1 P19634 5/20 0.42
TOP2A P11388 1/20 0.36
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A1 P68400 3/20 0.35
CSNK2A3 Q8NEV1 3/20 0.35
HCAR3 P49019 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 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
SCHEMBL5281120 0.93 SLC9A1 (0.45) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5278299 0.88 GRM2 (0.42) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5280549 0.80 GRM2 (0.47) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5276096 0.80 SLC9A1 (0.44) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5276125 0.79
SCHEMBL5276384 0.78 GRM2 (0.46) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5282440 0.78 SLC9A1 (0.43) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5277574 0.77 GRM2 (0.45) GRM2SLC9A1TOP2ACSNK2A2CSNK2B
SCHEMBL5278235 0.77 SLC9A1 (0.42) GRM2SLC9A1TOP2AHCAR3MEN1
SCHEMBL5284094 0.77 SLC9A1 (0.42) 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