SCHEMBL8345464

SCHEMBL8345464

COc1cccc(C=NCCNC(=O)c2ccccc2O)c1O.[Mn]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
CA12 O43570 1/20 0.61
NPC1 O15118 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 8/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
NCOA1 Q15788 1/20 0.46

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
SCHEMBL8349727 0.83 KDM4E (0.58) MAPTCA12NPC1MEN1KMT2A
SCHEMBL8345459 0.82 KMT2A (0.51) MAPTCA12NPC1MEN1KMT2A
SCHEMBL8350696 0.82 CA12 (0.60) MAPTCA12NPC1MEN1KMT2A
SCHEMBL1638467 0.80 KDM4E (0.70) MAPTNPC1MEN1KMT2AGAA
SCHEMBL1638466 0.80 KDM4E (0.70) MAPTNPC1MEN1KMT2AGAA
SCHEMBL8349880 0.80 CA2 (0.49) MAPTCA12NPC1MEN1KMT2A
SCHEMBL28293699 0.79 KDM4E (0.68) MAPTNPC1MEN1KMT2AGAA
SCHEMBL3888008 0.78 CA12 (1.00) MAPTCA12NPC1MEN1KMT2A
SCHEMBL3888004 0.78 CA12 (1.00) MAPTCA12NPC1MEN1KMT2A
SCHEMBL9437419 0.78 CA12 (1.00) MAPTCA12NPC1MEN1KMT2A

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-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed