SCHEMBL28034976

SCHEMBL28034976

CC(CCOc1cc[c]c(CN)c1)[SH](=O)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.31
MAPK1 P28482 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
SCHEMBL28034975 0.86 EPHX2 (0.34) TDP1EPHX2MAPK1
SCHEMBL28008140 0.83 TDP1 (0.31) TDP1
SCHEMBL28008146 0.82 TDP1 (0.35) TDP1EPHX2MAPK1
SCHEMBL28008161 0.82 TDP1 (0.35) TDP1EPHX2MAPK1
SCHEMBL28008213 0.82 TDP1 (0.35) TDP1EPHX2MAPK1
SCHEMBL27999329 0.76 MAPT (0.39)
SCHEMBL28034969 0.76 EPHX2 (0.41) TDP1EPHX2MAPK1
SCHEMBL27793390 0.75 TSHR (0.41) TDP1MAPK1
SCHEMBL28039593 0.75 MAOA (0.33) MAPK1
SCHEMBL28035466 0.75 CARM1 (0.32)

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-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