SCHEMBL21985385

SCHEMBL21985385

C=CC/C=N\c1c(C)cccc1NC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 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
SCHEMBL20406636 0.79 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17115749 0.73 ATM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23132307 0.72 SIGMAR1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23380015 0.67 KEAP1 (0.37) ALDH1A1MAPTHTTTP53L3MBTL1
SCHEMBL22826021 0.65 LMNA (0.47) ALDH1A1MAPTHTTTP53L3MBTL1
SCHEMBL10558957 0.64 MAPT (0.38) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL23644549 0.63 MEN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6558817 0.63 MEN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1814662 0.63 MEN1 (0.32) MEN1HSP90AA1KMT2AATM
SCHEMBL1548708 0.63 KEAP1 (0.54) ALDH1A1MAPTHTTTP53CYP3A4

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-3203543-B1 LIGHT-EMITTING ELEMENT SUMITOMO CHEMICAL CO (JP) 2020-05-13 EP disclosed