SCHEMBL21393028

SCHEMBL21393028

O=S(=O)(O)NC[C@@H]1C[C@@H](F)[C@H](n2cnc3cncnc32)O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 1/20 0.38
ATG7 O95352 1/20 0.35
BCHE P06276 2/20 0.33
NT5E P21589 2/20 0.32
SLC29A1 Q99808 1/20 0.32
FDPS P14324 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL26212473 0.89 DNMT3B (0.37) DNMT3BBCHENT5ESLC29A1FDPS
SCHEMBL7983071 0.84 DNMT3B (0.41) DNMT3BBCHENT5ESLC29A1FDPS
SCHEMBL7983075 0.84 DNMT3B (0.41) DNMT3BBCHENT5ESLC29A1FDPS
SCHEMBL8510067 0.84 DNMT3B (0.41) DNMT3BBCHENT5ESLC29A1FDPS
SCHEMBL21393003 0.81 BCHE (0.49) BCHESLC29A1
SCHEMBL21393030 0.80 ALDH1A1 (0.40) DNMT3BATG7FDPSHDAC1HDAC6
SCHEMBL21393157 0.76 ALDH1A1 (0.48)
SCHEMBL21636995 0.74 STING1 (0.47) NT5E
SCHEMBL12174029 0.73 SLC29A1 (0.47) DNMT3BSLC29A1
SCHEMBL2578051 0.73 SLC29A1 (0.47) DNMT3BSLC29A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO disclosed