SCHEMBL5281268

SCHEMBL5281268

CCCCn1nnc(Cl)c1CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.42
GRM2 Q14416 1/20 0.38
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.31
GRIA4 P48058 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5281159 0.93 SLC9A1 (0.45) SLC9A1GRM2HCAR3ALDH1A1TLR8
SCHEMBL5285294 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5279578 0.87 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5279633 0.87 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278704 0.82 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3GRIA4
SCHEMBL5280760 0.82 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5273367 0.80 SLC9A1 (0.44) SLC9A1GRM2HCAR3ALDH1A1
SCHEMBL5275662 0.80 SLC9A1 (0.44) SLC9A1GRM2HCAR3ALDH1A1
SCHEMBL5276096 0.80 SLC9A1 (0.44) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278971 0.79 SLC9A1 (0.35) SLC9A1GRM2TOP2AGRIA4ALDH1A1

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