SCHEMBL9405232

SCHEMBL9405232

CCS(=O)(=S)OC(=O)c1ccccc1.[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.47
F2 P00734 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HSD11B1 P28845 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6234524 0.79 LMNA (0.53) LMNATSHRF2TDP1MAPK1
SCHEMBL29218973 0.78 LMNA (0.48) LMNATSHRF2TDP1MAPK1
SCHEMBL19439036 0.78 LMNA (0.48) LMNATSHRF2TDP1MAPK1
SCHEMBL17768681 0.77 LMNA (0.52) LMNATSHRF2TDP1MAPK1
SCHEMBL315658 0.76 TSHR (0.53) LMNATSHRF2TDP1MAPK1
SCHEMBL28310222 0.75 LMNA (0.53) LMNATSHRF2TDP1MAPK1
SCHEMBL1020413 0.75 TSHR (0.56) LMNATSHRF2TDP1MAPK1
SCHEMBL1315543 0.74 LMNA (0.58) LMNATSHRF2TDP1MAPK1
SCHEMBL2833087 0.74 LMNA (0.47) LMNATSHRF2TDP1MAPK1
SCHEMBL3018655 0.73 F2 (0.52) LMNATSHRF2TDP1MAPK1

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
EP-0263556-B1 A process for the preparation of saline derivatives of mercaptoethansulfonic acid SCHERING SPA (IT) 1994-01-05 EP claimed
US-4939291-A Process for the preparation of mercaptoethansulfonic acid and sodium salt thereof SCHERING SPA (IT) 1990-07-03 US claimed
EP-0263556-B1 A process for the preparation of saline derivatives of mercaptoethansulfonic acid SCHERING SPA (IT) 1994-01-05 EP disclosed
EP-0263556-A2 A process for the preparation of saline derivatives of mercaptoethansulfonic acid Schering Spa (IT) 1988-04-13 EP disclosed