SCHEMBL5281159

SCHEMBL5281159

CCCCCCn1nnc(Cl)c1CC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
HCAR3 P49019 1/20 0.35
TLR8 Q9NR97 2/20 0.35
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GBA1 P04062 6/20 0.32
SMPD1 P17405 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
SCHEMBL5281268 0.93 SLC9A1 (0.42) SLC9A1HCAR3TLR8GRM2ALDH1A1
SCHEMBL5275662 0.88 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5273367 0.88 SLC9A1 (0.44) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5285294 0.85 SLC9A1 (0.39) SLC9A1HCAR3GRM2ALDH1A1
SCHEMBL5274538 0.83 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5273867 0.83 SLC9A1 (0.41) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5284919 0.81 SLC9A1 (0.47) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5279633 0.80 SLC9A1 (0.41) SLC9A1HCAR3GRM2ALDH1A1LMNA
SCHEMBL5281115 0.80 SLC9A1 (0.46) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5277682 0.80 SLC9A1 (0.46) SLC9A1HCAR3TLR8MAPTGRM2

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