SCHEMBL6342292

SCHEMBL6342292

COc1nc(NN)nc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL5026410 0.95 GAA (0.48) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL6342266 0.86 GAA (0.51) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL9847127 0.86 GAA (0.53) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL5028055 0.78 LMNA (0.45) GAAL3MBTL1LMNATSHRALDH1A1
SCHEMBL19861988 0.78 ALDH1A1 (0.53) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL33145 0.76 ALDH1A1 (0.43) L3MBTL1MEN1KMT2ALMNATSHR
SCHEMBL33144 0.76 MAPK1 (0.52) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL10750470 0.74 MAPT (0.43) GAAL3MBTL1LMNATSHRALDH1A1
SCHEMBL9735832 0.73 MEN1 (0.53) L3MBTL1MEN1KMT2ALMNATSHR
SCHEMBL5032573 0.72 TSHR (0.47) GAAL3MBTL1LMNATSHRALDH1A1

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 7 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
US-6919453-B1 Colorant compositions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2005-07-19 US disclosed
EP-0457140-A2 Phenoxyphenyl sulfonyl compounds BAYER AG (DE) 1991-11-21 EP disclosed
US-4837308-A Process for the preparation of azo compounds BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0201892-B1 METHOD OF MAKING AZO COMPOUNDS BAYER AG (DE) 1989-03-08 EP disclosed
EP-0201892-A1 Method of making azo compounds BAYER AG (DE) 1986-11-20 EP disclosed