SCHEMBL5558052

SCHEMBL5558052

Cc1cc(N)c2cccc(NC(=O)c3cccc(Nc4cc(C)[n+](C)c(N)n4)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.47
DNMT3L Q9UJW3 4/20 0.47
DNMT3A Q9Y6K1 4/20 0.47
EHMT1 Q9H9B1 2/20 0.47
RAD52 P43351 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3239601 0.84 MMP9 (0.54) MEN1KMT2AMMP1MMP9
SCHEMBL5558936 0.83 DNMT1 (0.47) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL5558076 0.82 HDAC1 (0.52) MEN1ALDH1A1KMT2ARAB9AALOX12
SCHEMBL3245888 0.81 MMP9 (0.49) DNMT1DNMT3LDNMT3AEHMT1MEN1
SCHEMBL5559910 0.80 DNMT1 (0.45) DNMT1DNMT3LDNMT3AEHMT1MAPT
SCHEMBL13312577 0.77 MEN1 (0.46) RAD52MEN1ALDH1A1KMT2AMAPT
Iodide SCHEMBL3501443 0.76 ROCK1 (0.46) RAD52MEN1ALDH1A1KMT2AMAPT
SCHEMBL3239682 0.76 DNMT1 (0.53) DNMT1DNMT3LDNMT3AMEN1KMT2A
SCHEMBL5558113 0.71 CD38 (0.44) MAPT
SCHEMBL3499609 0.67 DNMT1 (0.36) DNMT1DNMT3LDNMT3ARAD52MEN1

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-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed