SCHEMBL28102498

SCHEMBL28102498

C=C(C(N)=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PDE4D Q08499 2/20 0.47
TUBB1 Q9H4B7 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL5701110 0.84 MAPT (0.54) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL29503056 0.84 MAPT (0.54) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL660605 0.82 MAPT (0.55) MAPTTDP1PDE4DTUBB1MEN1
Hydrochloric Acid SCHEMBL28473659 0.80 MAPT (0.53) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL28052357 0.79 MAPT (0.51) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL4638173 0.78 MAPT (0.55) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL9726919 0.77 MAPT (0.58) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL17874171 0.77 ALDH1A1 (0.39) MAPTTDP1PDE4DTUBB1MEN1
SCHEMBL17874169 0.77 ALDH1A1 (0.39) MAPTTDP1PDE4DMEN1KMT2A
SCHEMBL4913002 0.76 MAPT (0.56) MAPTTDP1PDE4DTUBB1MEN1

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-106008480-A Quinazoline compound containing cinnamamide structure and preparation method and application thereof 江西科技师范大学 2016-10-12 CN disclosed