SCHEMBL5279145

SCHEMBL5279145

CCCCc1[nH]nnc1CCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.42
HCAR3 P49019 2/20 0.37
GAA P10253 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
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
SCHEMBL5276698 0.94 HCAR2 (0.44) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5274721 0.92 HCAR2 (0.39) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5277933 0.89 HCAR2 (0.34) HCAR2HCAR3GAAPOLB
SCHEMBL5276881 0.88 HCAR2 (0.42) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL11318964 0.86 MEN1 (0.40) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5603217 0.86 MEN1 (0.40) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL17485813 0.84 MEN1 (0.39) HCAR2HRH3MEN1KMT2A
SCHEMBL5286212 0.83 HCAR2 (0.39) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5283922 0.82 HCAR2 (0.40) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL19501783 0.82 HCAR2 (0.38) HCAR2HCAR3MAPTMEN1KMT2A

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