SCHEMBL6565751

SCHEMBL6565751

CC(C(N)=Cc1ccccc1O)N(CCN(C(C)C(N)=Cc1ccccc1O)C(C)C(N)=Cc1ccccc1O)C(C)C(N)=Cc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.40
CA2 P00918 6/20 0.40
KDM4E B2RXH2 3/20 0.40
CA9 Q16790 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6865789 0.78 KDM4E (0.42) CA12CA2KDM4ECA9RAB9A
SCHEMBL4669664 0.78 KDM4E (0.42) CA12CA2KDM4ECA9RAB9A
SCHEMBL4669668 0.78 KDM4E (0.42) CA12CA2KDM4ECA9RAB9A
SCHEMBL3457401 0.73 TRIM24 (0.45) CA12CA2KDM4ECA9GAA
SCHEMBL30972167 0.72 ALDH1A1 (0.46) CA12CA2KDM4ECA9RAB9A
SCHEMBL3690222 0.70 MAPT (0.40) CA12CA2KDM4ECA9RAB9A
SCHEMBL3690223 0.70 MAPT (0.40) CA12CA2KDM4ECA9RAB9A
SCHEMBL12957563 0.69 MAPT (0.48) CA12CA2KDM4ECA9RAB9A
SCHEMBL8982379 0.68 TRIM24 (0.52) CA12CA2KDM4ECA9RAB9A
SCHEMBL2037793 0.68 TRIM24 (0.52) CA12CA2KDM4ECA9RAB9A

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-1148117-B1 Bleach activating dendrimer ligands and their metal complexes CLARIANT GMBH (DE) 2004-03-24 EP disclosed