SCHEMBL5280496

SCHEMBL5280496

CCCCCCn1nnc(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.47
GRM2 Q14416 2/20 0.41
HCAR3 P49019 1/20 0.37
TOP2A P11388 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMPD1 P17405 4/20 0.33
MGLL Q99685 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL5280549 0.92 GRM2 (0.47) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5282659 0.84 GRM2 (0.44) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5282168 0.83 SLC9A1 (0.46) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5276080 0.83 SLC9A1 (0.46) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5280710 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5283149 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5273306 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5283124 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5281120 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5284570 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT

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