SCHEMBL5779733

SCHEMBL5779733

O=C1COC(c2cccnc2)=NN1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
APP P05067 2/20 0.52
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL6772626 0.99 KDM4E (0.60) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL5779101 0.92 MAPT (0.54) KDM4EMEN1MAPTKMT2AAPP
Hydrochloric Acid SCHEMBL5780731 0.91 MAPT (0.53) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL6768350 0.87 KMT2A (0.47) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL5778531 0.85 KMT2A (0.45) KDM4EMEN1MAPTKMT2AAPP
Hydrochloric Acid SCHEMBL6767983 0.83 KMT2A (0.44) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL6766061 0.80 MEN1 (0.44) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL10633512 0.79 KMT2A (0.52) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL10633559 0.79 APP (0.52) KDM4EMEN1MAPTKMT2AAPP
SCHEMBL10633538 0.78 KMT2A (0.42) KDM4EMEN1MAPTKMT2AAPP

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