SCHEMBL6766166

SCHEMBL6766166

O=C1COC(c2ccccc2)=NN1c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
MAOB P27338 5/20 0.36
MAOA P21397 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5780097 0.83 KMT2A (0.37) CYP2D6MAOBMAOAKMT2A
SCHEMBL7822476 0.83 TSHR (0.40) MAPTMAOBMAOAKMT2ALMNA
SCHEMBL6763452 0.82 TSHR (0.38) CYP2D6MAOBMAOAKMT2AALDH1A1
SCHEMBL6768350 0.80 KMT2A (0.47) POLBKDM4EMAPTGAAMAOB
SCHEMBL5779088 0.80 KMT2A (0.40) POLBKDM4EMAPTMAPK1GAA
SCHEMBL6767999 0.80 ALDH1A1 (0.44) POLBMAPTMAPK1GAAKMT2A
SCHEMBL6768472 0.77 CYP2D6 (0.51) CYP2D6KDM4EMAPTGAAMAOB
SCHEMBL6766920 0.76 CYP2D6 (0.53) CYP2D6KDM4EMAPTGAAMAOB
SCHEMBL5782379 0.76 KMT2A (0.37) POLBKDM4EMAPTMAPK1MAOB
SCHEMBL10633559 0.75 APP (0.52) KDM4EMAPTMAPK1GAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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