SCHEMBL5283882

SCHEMBL5283882

CCCCc1nn[nH]c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.36
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
HCAR3 P49019 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL5279238 0.89 POLB (0.30) HCAR2GAAHCAR3
SCHEMBL5277207 0.86 HCAR2 (0.39) HCAR2GAATSHRMAPK1LMNA
SCHEMBL5276698 0.83 HCAR2 (0.44) HCAR2GAATSHRMAPK1LMNA
SCHEMBL5274721 0.81 HCAR2 (0.39) HCAR2GAATSHRMAPK1LMNA
SCHEMBL5286212 0.81 HCAR2 (0.39) HCAR2GAATSHRMAPK1LMNA
SCHEMBL5324148 0.81 TSHR (0.31) TSHR
SCHEMBL5285023 0.81 TSHR (0.33) GAATSHR
SCHEMBL10080215 0.80 HCAR2 (0.35) HCAR2GAATSHRMAPK1LMNA
SCHEMBL5279145 0.77 HCAR2 (0.42) HCAR2GAATSHRMAPK1LMNA
SCHEMBL11318964 0.76 MEN1 (0.40) HCAR2GAATSHRMAPK1LMNA

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