SCHEMBL3245718

SCHEMBL3245718

CN(C)C(=Nc1cccc2cccc(N=C(N(C)C)N(C)C)c12)N(C)C.N=C(N)Nc1ccccc1NC(=N)Nc1ccccc1NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
EBP Q15125 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CXCR4 P61073 2/20 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
SCHEMBL676864 0.77 KDM4E (0.41) SIGMAR1KDM4EGAATSHR
Hydrochloric Acid SCHEMBL5746772 0.75 MAPT (0.40) SIGMAR1KDM4EGAAMEN1TSHR
SCHEMBL2003354 0.73 GAA (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5747124 0.72 CYP3A4 (0.40) SIGMAR1KDM4EGAATSHR
SCHEMBL13967975 0.71 SIGMAR1 (0.45) SIGMAR1
SCHEMBL5745827 0.70 KDM4E (0.39) SIGMAR1KDM4EGAATSHR
SCHEMBL13169288 0.70 SIGMAR1 (0.32) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2740878 0.69 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2002382 0.68 GAA (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13967904 0.66 KDM4E (0.32) SIGMAR1KDM4EGAA

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-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed