SCHEMBL26528944

SCHEMBL26528944

Cn1c(=O)sn(-c2cccc(OCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
MIF P14174 1/20 0.49
TTR P02766 1/20 0.47
FTO Q9C0B1 5/20 0.47
NAALAD2 Q9Y3Q0 3/20 0.47
JAK2 O60674 1/20 0.46
KEAP1 Q14145 1/20 0.45
NR1H2 P55055 1/20 0.43
DRD1 P21728 4/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.41
DRD2 P14416 3/20 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
SCHEMBL16602999 0.78 NAALAD2 (0.60) NQO1MIFTTRFTONAALAD2
SCHEMBL15744221 0.77 FTO (0.64) NQO1TTRFTONAALAD2JAK2
SCHEMBL17956697 0.77 FTO (0.69) NQO1TTRFTONAALAD2JAK2
SCHEMBL27254940 0.77 TTR (0.58) NQO1MIFTTRFTONAALAD2
SCHEMBL29353892 0.77 FTO (0.63) NQO1TTRFTONAALAD2JAK2
SCHEMBL991216 0.77 FTO (0.63) NQO1TTRFTONAALAD2JAK2
SCHEMBL20399862 0.76 TTR (0.59) NQO1MIFTTRFTONAALAD2
SCHEMBL31435048 0.76 TTR (0.59) NQO1MIFTTRFTONAALAD2
SCHEMBL17037385 0.75 FTO (0.66) NQO1TTRFTONAALAD2JAK2
SCHEMBL20729847 0.75 FTO (0.66) NQO1TTRFTONAALAD2JAK2

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
WO-2023196727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2023-10-12 WO disclosed