SCHEMBL21030435

SCHEMBL21030435

CC1CCCC/C1=N\C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MIF P14174 2/20 0.36
MAPK1 P28482 1/20 0.35
OGG1 O15527 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NOS2 P35228 1/20 0.34
HSD11B1 P28845 2/20 0.33

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
SCHEMBL9897381 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL15519424 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160567 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9897387 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL15519422 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9897385 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160571 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160569 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL9920362 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB
SCHEMBL1160570 1.00 GAA (0.45) GAAALDH1A1MAPTMAOAMAOB

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
WO-2019104030-A1 TETRAHYDRONAPHTHALENE DERIVATIVES USEFUL AS NRF2 ACTIVATORS BIOGEN MA INC. (US) 2019-05-31 WO disclosed