SCHEMBL6743504

SCHEMBL6743504

CC(C)N(C)c1ccc(C=NCCN=Cc2ccc(N(C)C(C)C)cc2O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
CA12 O43570 5/20 0.45
CA2 P00918 5/20 0.45
MAPT P10636 12/20 0.44
ALDH1A1 P00352 12/20 0.44
GAA P10253 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
BLM P54132 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6742643 0.84 MAPT (0.39) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL6742648 0.84 MAPT (0.39) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL6743499 0.83 MAPT (0.42) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL5728480 0.80 MAPT (0.34) KDM4ECA12CA2MAPTALDH1A1
SCHEMBL6745565 0.80 ALDH1A1 (0.51) KDM4ECA12CA2MAPTALDH1A1
SCHEMBL7022851 0.78 CA12 (0.65) KDM4ECA12CA2MAPTALDH1A1
SCHEMBL5728601 0.78 TYR (0.54) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL5388486 0.77 ALDH1A1 (0.51) KDM4ECA12CA2MAPTALDH1A1
SCHEMBL5388488 0.77 ALDH1A1 (0.51) KDM4ECA12CA2MAPTALDH1A1
SCHEMBL7788062 0.76 L3MBTL1 (0.51) KDM4EMAPTALDH1A1GAAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689733-B1 ENHANCING ACTION OF PEROXY COMPOUNDS; WASHING, CLEANING, DISINFECTING CIBA SPECIALTY CHEMICALS CORPORATION 2004-02-10 US disclosed
EP-1159259-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
WO-2000053574-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed