SCHEMBL6763476

SCHEMBL6763476

O=C1COC(c2ccc3ccccc3n2)=NN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
NPC1 O15118 8/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
PTGS1 P23219 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38

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 SCHEMBL6768437 0.99 MAPT (0.39) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL6763591 0.79 GAA (0.46) MAPTKDM4ESMN1; SMN2GAAL3MBTL1
Hydrochloric Acid SCHEMBL6765917 0.78 GAA (0.44) MAPTKDM4ESMN1; SMN2GAAL3MBTL1
SCHEMBL6768350 0.77 KMT2A (0.47) MAPTKDM4ESMN1; SMN2GAAL3MBTL1
SCHEMBL5778501 0.77 MAPT (0.42) RAB9ANPC1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5780693 0.76 MAPT (0.41) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL6766061 0.74 MEN1 (0.44) MAPTKDM4ESMN1; SMN2GAAALDH1A1
SCHEMBL10633512 0.72 KMT2A (0.52) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL5778531 0.72 KMT2A (0.45) MAPTKDM4ESMN1; SMN2GAAL3MBTL1
SCHEMBL6763622 0.71 GAA (0.42) MAPTKDM4ESMN1; SMN2GAAL3MBTL1

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