SCHEMBL5282856

SCHEMBL5282856

CCCCn1nnc(C(Cl)(Cl)Cl)c1CC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
NR1H3 Q13133 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5277451 0.93 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275986 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2A
SCHEMBL5279899 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5276169 0.88 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5284846 0.88 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5276137 0.87 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277045 0.84 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3NR1H3
SCHEMBL5278546 0.84 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5286975 0.83 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5278901 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3NR1H3

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