SCHEMBL5779101

SCHEMBL5779101

O=C1COC(c2ccccc2)=NN1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.43
APP P05067 2/20 0.43
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
ALDH1A1 P00352 4/20 0.40
DAPK3 O43293 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
RECQL P46063 1/20 0.38
GLO1 Q04760 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 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 SCHEMBL5780731 0.99 MAPT (0.53) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL5779733 0.92 KDM4E (0.61) MAPTKDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6772626 0.91 KDM4E (0.60) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL6768350 0.87 KMT2A (0.47) MAPTKDM4EMEN1KMT2AAPP
SCHEMBL5778531 0.85 KMT2A (0.45) MAPTKDM4EMEN1KMT2AAPP
Hydrochloric Acid SCHEMBL6767983 0.83 KMT2A (0.44) MAPTKDM4EMEN1KMT2AAPP
SCHEMBL10633559 0.79 APP (0.52) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL10633512 0.79 KMT2A (0.52) MAPTKDM4EMEN1KMT2AAPP
SCHEMBL10633538 0.78 KMT2A (0.42) MAPTKDM4EMEN1KMT2AAPP
SCHEMBL10632391 0.78 KMT2A (0.42) MAPTKDM4EMEN1KMT2AAPP

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 5 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