SCHEMBL20187693

SCHEMBL20187693

NCCCCCS(=O)(=O)NCCc1ccc(F)c(OCCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 11/20 0.45
SCN9A Q15858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL23052786 0.91 DUT (0.53) DUTSCN9A
SCHEMBL20189248 0.90 DUT (0.52) DUT
SCHEMBL20187699 0.89 DUT (0.53) DUT
SCHEMBL20188135 0.85 DUT (0.54) DUT
SCHEMBL20188083 0.83 DUT (0.59) DUT
SCHEMBL20188821 0.80 DUT (0.42) DUTSMN1; SMN2CA12CA1CA2
SCHEMBL20196472 0.79 DUT (0.41) DUTSMN1; SMN2CA12CA1CA2
SCHEMBL20187775 0.77 DUT (0.58) DUT
SCHEMBL18374372 0.77 DUT (0.58) DUT
SCHEMBL20190360 0.74 DUT (0.49) 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-2018098206-A1 HYDANTOIN CONTAINING 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-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed