SCHEMBL5780359

SCHEMBL5780359

O=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPK14 Q16539 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.43
HTR2A P28223 3/20 0.43
BRD4 O60885 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
MAOB P27338 1/20 0.41
FLT3 P36888 1/20 0.41
KCNH2 Q12809 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 SCHEMBL5782752 0.99 KDM4E (0.48) KDM4EMAPK14POLBL3MBTL1USP2
SCHEMBL5779094 0.93 KDM4E (0.54) KDM4EPOLBL3MBTL1USP2BRD4
Hydrochloric Acid SCHEMBL6768032 0.92 KDM4E (0.53) KDM4EPOLBL3MBTL1USP2BRD4
SCHEMBL5780821 0.88 KDM4E (0.48) KDM4EMAPK14POLBL3MBTL1USP2
SCHEMBL6768404 0.87 MAPK14 (0.51) KDM4EMAPK14POLBL3MBTL1USP2
Hydrochloric Acid SCHEMBL5781450 0.87 KDM4E (0.48) KDM4EMAPK14POLBL3MBTL1USP2
Hydrochloric Acid SCHEMBL6767449 0.86 MAPK14 (0.51) KDM4EMAPK14POLBL3MBTL1USP2
SCHEMBL6763534 0.85 KDM4E (0.50) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL6763508 0.84 KDM4E (0.52) KDM4EPOLBL3MBTL1HTR2CHTR2B
SCHEMBL5777171 0.84 POLB (0.52) KDM4EMAPK14POLBL3MBTL1USP2

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