SCHEMBL6207861

SCHEMBL6207861

CCOC(=O)Oc1c(C)nc(C#Cc2cccc(-n3c(C)ccc3C)c2)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MYC P01106 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
GAA P10253 1/20 0.35
NR4A1 P22736 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6207660 0.86 GRM5 (0.43) MAPTKMT2AFFAR1GRM5SMN1; SMN2
SCHEMBL6200432 0.85 HPGD (0.44) ALDH1A1MAPTALOX15KDM4EPOLB
SCHEMBL6208783 0.84 ADORA3 (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL6209016 0.84 GRM5 (0.43) TDP1L3MBTL1FFAR1GRM5
SCHEMBL6212636 0.82 GRM5 (0.47) ALDH1A1MAPTALOX15KDM4EPOLB
SCHEMBL6208345 0.78 ADORA3 (0.41) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL6209784 0.78 GABRA2 (0.37) ALDH1A1MAPTPOLBMEN1GAA
SCHEMBL6208213 0.78 GRM5 (0.43) ALDH1A1KDM4EKMT2AFFAR1GRM5
SCHEMBL6207945 0.77 TDP1 (0.34) ALDH1A1MAPTALOX15KDM4EPOLB
SCHEMBL6208296 0.74 GRM5 (0.45) ALDH1A1KDM4EPOLBMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed