SCHEMBL7054559

SCHEMBL7054559

CCCN(CCC)c1nc(N)nc(SC)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.46
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 7/20 0.38
HTT P42858 1/20 0.32
SLC29A1 Q99808 2/20 0.32
MAPK1 P28482 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL5075028 0.85 MAPT (0.49) HSP90AB1KMT2AMAPTSMN1; SMN2HSP90AA1
SCHEMBL2780687 0.82 MAPT (0.50) MEN1LMNAKMT2AL3MBTL1MAPT
SCHEMBL16094585 0.74 MAPT (0.43) MEN1LMNAKMT2AL3MBTL1MAPT
SCHEMBL3300115 0.74 SLC29A1 (0.53) HSP90AB1MEN1LMNAKMT2AL3MBTL1
SCHEMBL9104828 0.74 KMT2A (0.49) MEN1LMNAKMT2AL3MBTL1MAPT
SCHEMBL2420523 0.72 HSP90AB1 (0.43) HSP90AB1MAPTSMN1; SMN2HSP90AA1MAPK1
SCHEMBL8662498 0.72 HSP90AB1 (0.43) HSP90AB1MAPTSMN1; SMN2HSP90AA1MAPK1
SCHEMBL1133988 0.72 HSP90AB1 (0.37) HSP90AB1HSP90AA1
SCHEMBL10616461 0.72 CTH (0.43) HSP90AB1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL11807239 0.71 MAPT (0.37) MEN1LMNAKMT2AMAPTSMN1; SMN2

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
US-20030069138-A1 Synergistic herbicidal mixture of a). a heteroaryloxy- or aryloxy-phenoxypropionic acid, or salt or ester and b). one or more herbicides that are selective in rice BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-04-10 US disclosed