SCHEMBL5286170

SCHEMBL5286170

CCCCc1nnn(CCCC)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

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
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HSD11B1 P28845 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
SCHEMBL5274290 0.93 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5278676 0.92 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5281426 0.92 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5275572 0.86 MAOA (0.34) SLC9A1MAOBHCAR2
SCHEMBL5284272 0.86 SLC9A1 (0.43) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5281340 0.85 SLC9A1 (0.45) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5274168 0.82 MAOB (0.42) MAOBHCAR2HSD11B1
SCHEMBL5280775 0.81 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5278890 0.81 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5288212 0.80 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