SCHEMBL5285042

SCHEMBL5285042

CCCCn1nnc(Cl)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL5277719 0.93 SLC9A1 (0.43) SLC9A1GRM2HCAR3
SCHEMBL5277176 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5281878 0.81 SLC9A1 (0.33) SLC9A1GRM2
SCHEMBL5276049 0.80 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5324183 0.80 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5281583 0.79 GRM2 (0.43) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5277058 0.79 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278024 0.79 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5273217 0.78 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5282585 0.77 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1

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