SCHEMBL5282289

SCHEMBL5282289

CCCCc1nn[nH]c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.42
HCAR3 P49019 3/20 0.40
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 2/20 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
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL5283450 0.87
SCHEMBL2258002 0.78
SCHEMBL5282116 0.77 HCAR2 (0.38) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5276698 0.77 HCAR2 (0.44) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5276816 0.75 HCAR2 (0.37) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5286212 0.75 HCAR2 (0.39) HCAR2HCAR3HRH3GAATSHR
SCHEMBL9140532 0.75 HCAR2 (0.37) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5274721 0.75 HCAR2 (0.39) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5324743 0.72 HCAR2 (0.38) HCAR2HCAR3HRH3GAATSHR
SCHEMBL5278970 0.72 ALDH1A1 (0.43) 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