SCHEMBL28008145

SCHEMBL28008145

CN(C)S(=O)(=O)CCCOc1cc[c]c(CN)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
PDIA6 Q15084 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LTA4H P09960 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
SCHEMBL9935597 0.87 SYK (0.34) SYKPDIA6LMNAHTTLTA4H
SCHEMBL28008529 0.85 FFAR1 (0.37) PDIA6CA12CA1CA2TSHR
SCHEMBL28008160 0.83 PDIA6 (0.37) PDIA6CA12CA1CA2TSHR
SCHEMBL9934873 0.82 SYK (0.38) SYKPDIA6LMNAHTT
SCHEMBL28008142 0.82 PDIA6 (0.34) PDIA6CA12CA1CA2TSHR
SCHEMBL9934435 0.80 LMNA (0.32) LMNAHTT
SCHEMBL27793390 0.77 TSHR (0.41) CA12CA1CA2TSHRCA7
SCHEMBL28035468 0.76 ALDH1A1 (0.42) PDIA6LMNAHTT
SCHEMBL28035080 0.76 PDK2 (0.43) LMNATSHR
SCHEMBL27999329 0.75 MAPT (0.39) LMNAHTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed