SCHEMBL6766023

SCHEMBL6766023

O=C1NN=C(c2ccccc2)OC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
MAOB P27338 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL212810 0.70 CA2 (0.50) CA2RAB9ASLC6A3ALDH1A1KMT2A
Pemoline Dione SCHEMBL7864463 0.67 CA2 (1.00) CA2RAB9ASLC6A3ALDH1A1KMT2A
SCHEMBL6763545 0.67 ALDH1A1 (0.48) CA2RAB9ASLC6A3ALDH1A1GFER
Pemoline Dione SCHEMBL11265294 0.66 CA2 (0.96) CA2RAB9ASLC6A3ALDH1A1KMT2A
SCHEMBL31650964 0.65 ALDH1A1 (0.56) CA2RAB9ASLC6A3ALDH1A1KMT2A
SCHEMBL8181404 0.65 CA2 (0.67) CA2RAB9ASLC6A3ALDH1A1KMT2A
Pemoline SCHEMBL558128 0.65 CA2 (0.67) CA2RAB9ASLC6A3ALDH1A1KMT2A
SCHEMBL28577740 0.64 ALDH1A1 (0.43) CA2RAB9ASLC6A3ALDH1A1KMT2A
SCHEMBL30991581 0.64 CA2 (0.54) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28790257 0.63 CA2 (0.50) CA2RAB9ASLC6A3ALDH1A1KMT2A

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