SCHEMBL14517536

SCHEMBL14517536

CN/C=N\c1c(C(=O)OC)sc2ncnc(N(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
HTT P42858 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.39
GRM1 Q13255 4/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HPGD P15428 1/20 0.36
GRM5 P41594 2/20 0.36
ATM Q13315 1/20 0.35
MKNK2 Q9HBH9 4/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL8237099 0.87 KDM4E (0.53) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL8237095 0.87 KDM4E (0.53) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL8277740 0.82 KDM4E (0.62) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL8243458 0.77 KDM4E (0.53) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL13924000 0.77 KDM4E (0.53) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL8243786 0.77 KDM4E (0.50) KDM4EHTTALDH1A1MAPTTDP1
SCHEMBL6101444 0.70 KDM4E (0.78) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL6101448 0.70 KDM4E (0.78) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL8243976 0.70 KDM4E (0.78) KDM4EHTTHSD17B10CASP1CASP7
SCHEMBL12348405 0.68 KDM4E (0.52) KDM4EHTTHSD17B10CASP1CASP7

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
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed