SCHEMBL28008140

SCHEMBL28008140

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL28008156 0.88 NR1H4 (0.32) NR1H4
SCHEMBL28034976 0.83 TDP1 (0.33) TDP1
SCHEMBL28008161 0.79 TDP1 (0.35) TDP1NR1H4
SCHEMBL28008213 0.79 TDP1 (0.35) TDP1NR1H4
SCHEMBL28008146 0.79 TDP1 (0.35) TDP1NR1H4
SCHEMBL28035466 0.78 CARM1 (0.32)
SCHEMBL28035464 0.78
SCHEMBL27999329 0.73 MAPT (0.39) NR1H4
SCHEMBL27793390 0.72 TSHR (0.41) TDP1
SCHEMBL28039593 0.72 MAOA (0.33)

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-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