SCHEMBL5324743

SCHEMBL5324743

CCCCc1nn[nH]c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.38
HCAR3 P49019 3/20 0.38
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5286727 0.88 HCAR3 (0.35) HCAR2HCAR3
SCHEMBL5273207 0.83 HCAR2 (0.34) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5283635 0.80 HCAR2 (0.35) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5284087 0.80 HCAR2 (0.33) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5323317 0.79
SCHEMBL5279542 0.75
SCHEMBL5282116 0.74 HCAR2 (0.38) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5276698 0.74 HCAR2 (0.44) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5276816 0.72 HCAR2 (0.37) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5286212 0.72 HCAR2 (0.39) HCAR2HCAR3HRH3GAATSHR

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