SCHEMBL5028055

SCHEMBL5028055

COc1nc(NNc2nc(OC)nc(OC)n2)nc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL5032573 0.86 TSHR (0.47) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL19861988 0.82 ALDH1A1 (0.53) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL33145 0.80 ALDH1A1 (0.43) LMNAALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL33144 0.80 MAPK1 (0.52) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL9488540 0.79 MAPT (0.38) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL10750470 0.78 MAPT (0.43) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL6342292 0.78 GAA (0.44) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL33148 0.74 SMN1; SMN2 (0.52) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL8351924 0.72 MAPT (0.40) LMNAALDH1A1TSHRL3MBTL1CA1
SCHEMBL8351928 0.72 MAPT (0.40) LMNAALDH1A1TSHRL3MBTL1CA1

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-7399841-B1 High-energy 1,3,5-triazinyl diazenes, and process thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-15 US disclosed
US-7399841-B1 High-energy 1,3,5-triazinyl diazenes, and process thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-15 US disclosed