SCHEMBL20191202

SCHEMBL20191202

NC(=O)CN(COCCCS(=O)(=O)NCCc1ccc(F)c(OC2CCCC2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 7/20 0.49
▸ KCNH2 Q12809 2/20 0.34
▸ SLC6A9 P48067 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ADRB3 P13945 2/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL20190547 0.85 DUT (0.46) DUTKCNH2SLC6A9APOBEC3AHTT
SCHEMBL20188455 0.85 DUT (0.47) DUTKCNH2
SCHEMBL20191201 0.81 DUT (0.60) DUT
SCHEMBL22723273 0.81 DUT (0.60) DUT
SCHEMBL20189268 0.81 DUT (0.52) DUTKCNH2SLC6A9SMN1; SMN2HRH1
SCHEMBL20188158 0.80 DUT (0.47) DUTKCNH2SLC6A9SMN1; SMN2ADRB3
SCHEMBL20188104 0.80 DUT (0.52) DUTKCNH2SLC6A9SMN1; SMN2HRH1
SCHEMBL20191204 0.78 DUT (0.52) DUTKCNH2SLC6A9SMN1; SMN2HRH1
SCHEMBL20190338 0.77 DUT (0.46) DUTKCNH2
SCHEMBL22751606 0.73 DUT (0.56) 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 1 patent. 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
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