SCHEMBL5277682

SCHEMBL5277682

CCCCCCn1nnc(CC)c1CC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.46
HCAR3 P49019 1/20 0.36
MAPT P10636 1/20 0.35
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MPO P05164 1/20 0.33
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MGLL Q99685 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL5277794 0.92 SLC9A1 (0.43) SLC9A1HCAR3GRM2MPOTOP2A
SCHEMBL5283445 0.89 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5274923 0.89 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5284456 0.89 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5276328 0.89 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5279564 0.85 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5280793 0.85 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5273494 0.85 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5280147 0.85 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5282973 0.84 SLC9A1 (0.40) SLC9A1HCAR3GRM2ALDH1A1TOP2A

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