SCHEMBL20201901

SCHEMBL20201901

O=C1CN(C/C=C/CCCN[S+]([O-])c2cccc(OCC3CC3)c2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 16/20 0.49
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ROCK2 O75116 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 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
SCHEMBL21522628 0.80 DUT (0.55) DUT
SCHEMBL20201689 0.80 DUT (0.55) DUT
SCHEMBL20193328 0.72 DUT (0.70) DUT
SCHEMBL18374225 0.72 DUT (0.70) DUT
SCHEMBL20187705 0.72 DUT (0.54) DUT
SCHEMBL31262777 0.72 DUT (0.70) DUT
SCHEMBL20338520 0.71 DUT (0.74) DUT
SCHEMBL31262711 0.71 DUT (0.74) DUT
SCHEMBL18374021 0.71 DUT (0.74) DUT
SCHEMBL20204810 0.70 TLR4 (0.37) DUTTLR4TLR2

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