SCHEMBL6768404

SCHEMBL6768404

O=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
KDM4E B2RXH2 2/20 0.46
HTR2A P28223 3/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2C P28335 2/20 0.43
FLT3 P36888 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
USP2 O75604 1/20 0.41
MAOB P27338 1/20 0.41

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 SCHEMBL6767449 0.99 MAPK14 (0.51) MAPK14KDM4EHTR2AKCNH2HTR2C
SCHEMBL5780821 0.92 KDM4E (0.48) MAPK14KDM4EHTR2AKCNH2FLT3
Hydrochloric Acid SCHEMBL5781450 0.91 KDM4E (0.48) MAPK14KDM4EHTR2AKCNH2FLT3
SCHEMBL5780359 0.87 KDM4E (0.49) MAPK14KDM4EHTR2AKCNH2HTR2C
Hydrochloric Acid SCHEMBL5782752 0.86 KDM4E (0.48) MAPK14KDM4EHTR2AHTR2CFLT3
SCHEMBL5777171 0.84 POLB (0.52) MAPK14KDM4EPOLBL3MBTL1BRD4
SCHEMBL5779094 0.84 KDM4E (0.54) KDM4EPOLBL3MBTL1BRD4USP2
Hydrochloric Acid SCHEMBL5783222 0.84 POLB (0.51) MAPK14KDM4EPOLBL3MBTL1BRD4
Hydrochloric Acid SCHEMBL6768032 0.83 KDM4E (0.53) KDM4EPOLBL3MBTL1BRD4USP2
Hydrochloric Acid SCHEMBL7822416 0.78 OXTR (0.52) KDM4EPOLBL3MBTL1USP2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP claimed
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