SCHEMBL28450293

SCHEMBL28450293

C=CC(=O)Nc1ccc(OCCOC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.58
ITK Q08881 5/20 0.53
TGM2 P21980 1/20 0.51
FAAH O00519 1/20 0.48
MCHR1 Q99705 1/20 0.47
FDPS P14324 1/20 0.47
JAK2 O60674 1/20 0.47
LYN P07948 1/20 0.47
TEC P42680 1/20 0.47
TXK P42681 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
CD69 Q07108 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL28455574 0.95 EGFR (0.58) EGFRITKTGM2JAK2LYN
SCHEMBL28463718 0.95 EGFR (0.63) EGFRITKTGM2JAK2LYN
SCHEMBL14260335 0.90 MAPT (0.59) EGFRITKTGM2FAAHJAK3
SCHEMBL5043916 0.86 TGM2 (0.63) EGFRITKTGM2
SCHEMBL28456327 0.86 EGFR (0.69) EGFRITKTGM2JAK2LYN
SCHEMBL28458937 0.86 EGFR (0.55) EGFRITKTGM2JAK2LYN
SCHEMBL4033138 0.83 SLC2A1 (0.65) MCHR1
SCHEMBL27616728 0.79 TDP1 (0.51) EGFRTGM2
SCHEMBL28310060 0.79 TGM2 (0.67) EGFRITKTGM2JAK2LYN
SCHEMBL1381244 0.77 TGM2 (0.59) EGFRITKTGM2

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
CN-110041331-B Styrylxanthine derivative and use thereof 广东东阳光药业有限公司 2020-08-07 CN disclosed