SCHEMBL28754580

SCHEMBL28754580

CS(=O)(=O)c1ccc(NCCCCC(N)C(=O)N2C=CSC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 6/20 0.40
DPP7 Q9UHL4 6/20 0.40
DPP8 Q6V1X1 5/20 0.40
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
DPP4 P27487 3/20 0.33
NAMPT P43490 1/20 0.31
EPHX2 P34913 2/20 0.31
GRM4 Q14833 1/20 0.31
TOP2B Q02880 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
SCHEMBL27617584 0.84 DPP8 (0.45) DPP9DPP7DPP8ALDH1A1MMP2
SCHEMBL27617583 0.84 DPP8 (0.45) DPP9DPP7DPP8ALDH1A1MMP2
SCHEMBL28754564 0.82 DPP7 (0.41) DPP9DPP7DPP8ALDH1A1DPP4
SCHEMBL28754563 0.82 DPP7 (0.41) DPP9DPP7DPP8ALDH1A1DPP4
SCHEMBL2851931 0.80 DPP7 (0.48) DPP9DPP7DPP8ALDH1A1DPP4
SCHEMBL27599085 0.80 DPP7 (0.48) DPP9DPP7DPP8ALDH1A1DPP4
SCHEMBL2854616 0.80 DPP4 (0.53) DPP9DPP7DPP8DPP4
SCHEMBL27599128 0.76 DPP9 (0.41) DPP9DPP7DPP8DPP4
SCHEMBL27599130 0.76 DPP9 (0.41) DPP9DPP7DPP8DPP4
SCHEMBL27599242 0.75 DPP7 (0.37) DPP9DPP7DPP8ALDH1A1DPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed