SCHEMBL20196472

SCHEMBL20196472

Cc1ccc(CCNS(=O)(=O)CCCCCN)cc1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RELA Q04206 2/20 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
SCHEMBL20189248 0.89 DUT (0.52) DUT
SCHEMBL20187699 0.88 DUT (0.53) DUT
SCHEMBL20188821 0.85 DUT (0.42) DUTSMN1; SMN2CA12CA1CA2
SCHEMBL20188135 0.84 DUT (0.54) DUT
SCHEMBL20187693 0.79 DUT (0.45) DUTSMN1; SMN2CA12CA1CA2
SCHEMBL20188145 0.78 DUT (0.57) DUT
SCHEMBL20188143 0.78 DUT (0.57) DUT
SCHEMBL20193317 0.76 DUT (0.41) DUT
SCHEMBL20190412 0.76 DUT (0.38) DUTCA12CA1CA2CA5A
SCHEMBL20188374 0.75 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-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
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed