SCHEMBL5778531

SCHEMBL5778531

O=C1COC(c2ccncc2)=NN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 5/20 0.43
ALDH1A1 P00352 4/20 0.43
PTGS1 P23219 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
SHMT2 P34897 1/20 0.40
LOX P28300 1/20 0.40
APP P05067 2/20 0.39
NOTUM Q6P988 1/20 0.36

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 SCHEMBL6767983 0.99 KMT2A (0.44) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL6768350 0.91 KMT2A (0.47) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL10633512 0.85 KMT2A (0.52) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL5779733 0.85 KDM4E (0.61) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL5779101 0.85 MAPT (0.54) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL10633538 0.84 KMT2A (0.42) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL10632391 0.84 KMT2A (0.42) KMT2AMEN1MAPTKDM4EGAA
Hydrochloric Acid SCHEMBL5780731 0.83 MAPT (0.53) KMT2AMEN1MAPTKDM4EGAA
Hydrochloric Acid SCHEMBL6772626 0.83 KDM4E (0.60) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL10633559 0.82 APP (0.52) KMT2AMEN1MAPTKDM4EGAA

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