SCHEMBL6773284

SCHEMBL6773284

CC1(C)OC(c2ccccc2)=NN(c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
CES2 O00748 4/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
PRTN3 P24158 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 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
APP P05067 1/20 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
SCHEMBL3706828 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ECES2ELANE
SCHEMBL17290523 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL6014950 0.69 MAPT (0.42) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL420793 0.68 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL6768350 0.68 KMT2A (0.47) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL10339505 0.67 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL17290519 0.67 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECES2MEN1
SCHEMBL3465492 0.66 ELANE (0.53) ALDH1A1ELANECTSGPRTN3GAA
SCHEMBL267581 0.66 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EELANEMEN1
SCHEMBL6931466 0.66 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ECES2MEN1

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