SCHEMBL6763399

SCHEMBL6763399

O=C1COC(c2ccccn2)=NN1c1ccccc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
SCN9A Q15858 1/20 0.33
PDCD1 Q15116 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MGLL Q99685 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 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
SCHEMBL5780049 0.85 SLC5A2 (0.36) HTR7SLC5A1SLC5A2PDCD1CD274
SCHEMBL5778171 0.85 MEN1 (0.39) SLC5A1SLC5A2SCN9APDCD1CD274
SCHEMBL6763497 0.81 PDCD1 (0.42) SCN9APDCD1CD274KDM4EMGLL
SCHEMBL6767423 0.81 GRIA1 (0.37) SLC5A1SLC5A2KDM4EMEN1KMT2A
SCHEMBL5778501 0.81 MAPT (0.42) PDCD1CD274KDM4ETDP1LMNA
Hydrochloric Acid SCHEMBL5780693 0.80 MAPT (0.41) PDCD1CD274KDM4ETDP1LMNA
SCHEMBL6767437 0.78 MAPK14 (0.36) SLC5A1SLC5A2KDM4ELMNAPOLB
Hydrochloric Acid SCHEMBL6765921 0.77 MAPK14 (0.35) SLC5A1SLC5A2KDM4ELMNAPOLB
SCHEMBL6763493 0.69 ALDH1A1 (0.40) KDM4ETDP1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6766287 0.68 ALDH1A1 (0.40) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1

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