SCHEMBL19209979

SCHEMBL19209979

Oc1ccccc1C=NCCNCCN=Cc1ccccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.78
CA2 P00918 7/20 0.78
KDM4E B2RXH2 4/20 0.78
CA9 Q16790 6/20 0.72
CA1 P00915 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTRC Q99895 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
GFER P55789 1/20 0.49
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
BACE1 P56817 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
SCHEMBL29610101 1.00 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL16221721 1.00 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL12996009 1.00 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL5350861 1.00 CA12 (0.78) CA12CA2KDM4ECA9CA1
SCHEMBL14674401 0.98 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL14674400 0.98 CA12 (0.75) CA12CA2KDM4ECA9CA1
SCHEMBL347399 0.93 CA12 (0.68) CA12CA2KDM4ECA9CA1
SCHEMBL5344220 0.92 CA12 (0.67) CA12CA2KDM4ECA9CA1
SCHEMBL6892005 0.91 CA12 (0.77) CA12CA2KDM4ECA9CA1
SCHEMBL346868 0.90 CA12 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426740-A2 METHOD OF PREPARING AN OXIDATIVELY CURABLE COATING FORMULATION Catexel Limited (GB) 2019-01-16 EP disclosed
US-20180340092-A1 METHOD OF PREPARING AN OXIDATIVELY CURABLE COATING FORMULATION CATEXEL LIMITED (GB) 2018-11-29 US disclosed
WO-2017134463-A2 METHOD OF PREPARING AN OXIDATIVELY CURABLE COATING FORMULATION CATEXEL LIMITED (GB) 2017-08-10 WO disclosed