SCHEMBL5779974

SCHEMBL5779974

O=C1COC(c2ncccc2O)=NN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GAA P10253 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.37
CYP2D6 P10635 1/20 0.37
SHMT2 P34897 1/20 0.36
LOX P28300 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
SCHEMBL5778908 0.81 PTGS1 (0.46) POLBGAAMEN1KMT2AKDM4E
SCHEMBL6763490 0.81 CYP2D6 (0.54) POLBGAAMEN1KMT2AKDM4E
SCHEMBL6763485 0.80 CYP11B1 (0.36) POLBGAAMEN1KMT2AKDM4E
SCHEMBL5778501 0.79 MAPT (0.42) POLBGAAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5780693 0.77 MAPT (0.41) POLBGAAMEN1KMT2AKDM4E
SCHEMBL6768350 0.76 KMT2A (0.47) POLBGAAMEN1KMT2AKDM4E
SCHEMBL5781776 0.76 HTR7 (0.38) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL6768461 0.75 TDP1 (0.41) GAAMEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5780676 0.75 HTR7 (0.37) KDM4EALDH1A1SMN1; SMN2PTGS1MAOB
SCHEMBL5778531 0.74 KMT2A (0.45) POLBGAAMEN1KMT2AKDM4E

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 4 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-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