SCHEMBL6375937

SCHEMBL6375937

NCCN(CCN)CCNCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
HRH1 P35367 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
SCN8A Q9UQD0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 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
SCHEMBL5362066 0.93 SMN1; SMN2 (0.54) CHRM2HRH1SIRT2SMN1; SMN2MAPT
SCHEMBL29386417 0.92 CHRM2 (0.66) CHRM2SIRT2SMN1; SMN2MAPTLIN28A
SCHEMBL18301491 0.92 CHRM2 (0.66) CHRM2SIRT2SMN1; SMN2MAPTLIN28A
SCHEMBL10607691 0.90 CHRM2 (0.64) CHRM2SIRT2SMN1; SMN2MAPTLIN28A
SCHEMBL4788775 0.90 CHRM2 (0.50) CHRM2HRH1SIRT2SMN1; SMN2MAPT
SCHEMBL4416434 0.90 CHRM2 (0.50) CHRM2HRH1SIRT2SMN1; SMN2MAPT
SCHEMBL825189 0.84 SMN1; SMN2 (0.68) CHRM2SIRT2SMN1; SMN2MAPTLIN28A
SCHEMBL160154 0.83 CHRM2 (0.73) CHRM2HRH1SIRT2SMN1; SMN2KDM4E
SCHEMBL28920982 0.82 CHRM2 (0.71) CHRM2HRH1SIRT2SMN1; SMN2KDM4E
Ammonia Solution, Strong SCHEMBL28870671 0.82 CHRM2 (0.71) CHRM2HRH1SIRT2SMN1; SMN2KDM4E

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-20050032661-A1 Use of transition metal complexes with nitrogen-containing polydentate ligands as a bleaching catalyst and bleaching agent composition DEGUSSA AG 2005-02-10 US disclosed
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed
EP-1199402-A2 Process for delignifying and/or bleaching fibrous material Degussa AG (DE) 2002-04-24 EP disclosed