SCHEMBL5779088

SCHEMBL5779088

N#Cc1ccccc1N1N=C(c2ccccc2)OCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL5782501 0.84 GRM5 (0.43) KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5780454 0.83 GRM5 (0.42) KMT2AKDM4EALDH1A1MAPT
SCHEMBL6767423 0.83 GRIA1 (0.37) KMT2AKDM4EMEN1
SCHEMBL5782379 0.83 KMT2A (0.37) KMT2AKDM4EALDH1A1MEN1POLB
Hydrochloric Acid SCHEMBL5782248 0.82 KMT2A (0.37) KMT2AKDM4EALDH1A1MEN1POLB
SCHEMBL6763421 0.80 KMT2A (0.37) KMT2AKDM4EALDH1A1MEN1POLB
SCHEMBL6766166 0.80 CYP2D6 (0.40) KMT2AKDM4EALDH1A1MEN1POLB
SCHEMBL7822476 0.80 TSHR (0.40) KMT2AMEN1MAPTMAOBMAOA
SCHEMBL5780097 0.80 KMT2A (0.37) KMT2AMAOBMAOA
SCHEMBL5782601 0.79 KMT2A (0.43) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1

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