SCHEMBL9455759

SCHEMBL9455759

NCCN=Cc1ccccc1O.NCCN=Cc1ccccc1O.[Co]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.75
CA2 P00918 7/20 0.75
KDM4E B2RXH2 3/20 0.75
CA9 Q16790 6/20 0.70
CA1 P00915 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.48
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTRC Q99895 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43

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
SCHEMBL3391973 0.98 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL3391979 0.98 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL30544333 0.98 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL12047314 0.98 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL19874045 0.96 CA12 (0.75) CA12CA2KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL29441822 0.88 CA12 (0.96) CA12CA2KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL187357 0.88 CA12 (0.96) CA12CA2KDM4ECA9CA1
N,N'-Disalicylalethylenediamine SCHEMBL1123492 0.88 CA12 (0.96) CA12CA2KDM4ECA9CA1
SCHEMBL5591132 0.87 CA12 (0.79) CA12CA2KDM4ECA9CA1
SCHEMBL31025225 0.87 CA12 (0.79) CA12CA2KDM4ECA9CA1

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-5217900-A Biological reactor BASF AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed