SCHEMBL20144857

SCHEMBL20144857

CC1OC(CC(=O)O)CC2=C1C(=O)c1c(N=O)cccc1C2=O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.75
HSP90AA1 P07900 1/20 0.75
PAX8 Q06710 1/20 0.75
CTH P32929 1/20 0.71
AKT1 P31749 4/20 0.57
TCF4 P15884 1/20 0.47
CTNNB1 P35222 1/20 0.47
IDO1 P14902 2/20 0.43
TDP2 O95551 1/20 0.38
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB1 P08183 1/20 0.30

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
Nanafrocin SCHEMBL2111571 0.86 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8CTHAKT1
Nanaomycin SCHEMBL18567076 0.86 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8CTHAKT1
Nanaomycin SCHEMBL30778402 0.86 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8CTHAKT1
Nanaomycin SCHEMBL20473784 0.86 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8CTHAKT1
Nanaomycin SCHEMBL30861963 0.86 HSP90AA1 (1.00) DNMT3BHSP90AA1PAX8CTHAKT1
SCHEMBL28398864 0.77 DNMT3B (0.77) DNMT3BHSP90AA1PAX8CTHAKT1
SCHEMBL30193239 0.76 DNMT3B (0.82) DNMT3BHSP90AA1PAX8CTHAKT1
SCHEMBL29927569 0.74 DNMT3B (0.78) DNMT3BHSP90AA1PAX8CTHAKT1
SCHEMBL1177648 0.73 DNMT3B (0.66) DNMT3BHSP90AA1PAX8CTHAKT1
SCHEMBL20442857 0.73 DNMT3B (0.66) DNMT3BHSP90AA1PAX8CTHAKT1

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
EP-3321371-A1 NOVEL METHODS FOR RAPID DRUG SUSCEPTIBILITY TESTING AND DRUG SCREENS FOR GROWING AND NON-GROWING CELLS OF PROKARYOTIC AND EUKARYOTIC ORIGIN Zhang, Ying (US) 2018-05-16 EP disclosed