SCHEMBL9422808

SCHEMBL9422808

CN(C)CC1CC(=O)c2ccsc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
METAP1 P53582 6/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL1122615 0.75 GAA (0.35) POLBGAA
SCHEMBL3350738 0.75 GAA (0.35) POLBGAA
SCHEMBL1123030 0.75 GAA (0.35) POLBGAA
SCHEMBL8792481 0.68 KDM4E (0.38) POLBGAA
SCHEMBL7818373 0.65 HTR7 (0.44)
SCHEMBL9653835 0.61 POLB (0.31) POLBGAA
SCHEMBL2307894 0.60 GAA (0.55) POLBGAA
SCHEMBL9422893 0.59 GAA (0.33) POLBGAA
SCHEMBL9651685 0.58 CA2 (0.31)
Hydrochloric Acid SCHEMBL7290256 0.58 METAP1 (0.46) METAP1

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
US-5334591-A Useful in the treatment of ocular hypertension and glaucoma MERCK & CO., INC. (US) 1994-08-02 US disclosed
EP-0543497-A1 Tricyclic thienothiopyrans as antiglancoma agents MERCK & CO. INC. (US) 1993-05-26 EP disclosed
US-5175284-A Glaucoma MERCK & CO., INC. (US) 1992-12-29 US disclosed