SCHEMBL20201727

SCHEMBL20201727

CC(CCCCCS(=O)(=O)Cl)C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.39
SLC25A5 P05141 1/20 0.33
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL20208493 1.00 S100A4 (0.39) S100A4SLC25A5CSNK2A2CSNK2A1
SCHEMBL20376256 1.00 S100A4 (0.39) S100A4SLC25A5CSNK2A2CSNK2A1
SCHEMBL20376286 0.86 SLC25A5 (0.31) SLC25A5
SCHEMBL20376450 0.82 S100A4 (0.40) S100A4SLC25A5
SCHEMBL20201784 0.82 S100A4 (0.40) S100A4SLC25A5
SCHEMBL20201723 0.76 HDAC4 (0.42) S100A4SLC25A5
SCHEMBL20201781 0.76 HDAC4 (0.42) S100A4SLC25A5
SCHEMBL20207026 0.70 S100A4 (0.53) S100A4SLC25A5CSNK2A2CSNK2A1
SCHEMBL9728915 0.69 S100A4 (0.40) S100A4
SCHEMBL10440488 0.68 S100A4 (0.50) S100A4SLC25A5CSNK2A2CSNK2A1

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-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