SCHEMBL20189332

SCHEMBL20189332

O=C1CN(CCCCCS(=O)(=O)NCCc2ccc(F)c(OCC(F)F)c2)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.65
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL20188063 0.88 DUT (0.51) DUT
SCHEMBL20188077 0.87 DUT (0.56) DUT
SCHEMBL20191188 0.87 DUT (0.68) DUT
SCHEMBL20191185 0.86 DUT (0.66) DUT
SCHEMBL20188184 0.86 DUT (0.64) DUT
SCHEMBL20188083 0.86 DUT (0.59) DUT
SCHEMBL20187893 0.85 DUT (0.57) DUT
SCHEMBL20188025 0.85 DUT (0.53) DUT
SCHEMBL20188121 0.85 DUT (0.53) DUT
SCHEMBL20188194 0.84 DUT (0.68) DUT

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
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed