SCHEMBL5778501

SCHEMBL5778501

O=C1COC(c2ccccn2)=NN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.40
SHMT2 P34897 1/20 0.39
LOX P28300 1/20 0.39
GFER P55789 1/20 0.38
PDCD1 Q15116 2/20 0.37

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
Hydrochloric Acid SCHEMBL5780693 0.99 MAPT (0.41) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL6766061 0.85 MEN1 (0.44) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL6763399 0.81 HTR7 (0.35) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5780049 0.81 SLC5A2 (0.36) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5778171 0.81 MEN1 (0.39) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL6768350 0.80 KMT2A (0.47) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL6763591 0.80 GAA (0.46) MAPTKDM4EMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6765917 0.79 GAA (0.44) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5779974 0.79 POLB (0.40) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL5778531 0.78 KMT2A (0.45) MAPTKDM4EMEN1KMT2ATDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153922-B1 HETERODIAZINONE DERIVATIVES EISAI CO LTD (JP) 2006-04-26 EP claimed
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP claimed
EP-1153922-B1 HETERODIAZINONE DERIVATIVES EISAI CO LTD (JP) 2006-04-26 EP disclosed
US-6825192-B1 NON-N-METHYL-D-ASPARTATE (NON- NMDA) EXCITATORY AMINO ACID RECEPTOR ANTAGONISTIC ACTION, FOR EXAMPLE 2-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONIC ACID (AMPA) RECEPTOR ANTAGONISTIC ACTION EISAI CO., LTD. (JP) 2004-11-30 US disclosed
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP disclosed
JP-2000302770-A HETERODIAZINONE DERIVATIVE EISAI CO LTD 2000-10-31 JP disclosed