SCHEMBL9712340

SCHEMBL9712340

CC(=O)OC(CN)CS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
BLM P54132 2/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
SLC6A6 P31641 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
SCHEMBL8618864 0.82 TSHR (0.36) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL13684596 0.80
Hydrochloric Acid SCHEMBL9712345 0.79 MEN1 (0.37) MEN1KMT2AGABBR2GABBR1CYP2C19
Hydrochloric Acid SCHEMBL9712305 0.78 MAPT (0.39) TSHRLMNAMEN1CYP1A2KMT2A
SCHEMBL24490918 0.77 GAA (0.33) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL17155075 0.77 LMNA (0.56) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL10603451 0.77 GAA (0.47) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL9327606 0.77 CA2 (0.37) TSHRSMN1; SMN2LMNAMEN1CYP1A2
Hydrochloric Acid SCHEMBL10711948 0.75 CA2 (0.36) TSHRSMN1; SMN2GAATDP1CHRM2
SCHEMBL19361541 0.74

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
JP-1102055-A None JP disclosed
EP-0309421-B1 O-ALKANOYL DERIVATIVES OF 3-AMINO-2-HYDROXYPROPANESULFONIC ACID HAVING ANTICONVULSIVANT ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME FOR THE THERAPEUTICAL TREATMENT OF EPILEPSY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-11-19 EP disclosed
JP-H01102055-A O-ALKANOYL DERIVATIVE OF 3-AMINO-2-HYDROXYPROPANESULFONIC ACID SIGMA TAU IND FARMACEUT RIUNITE SPA 1989-04-19 JP disclosed
EP-0309421-A2 O-alkanoyl derivatives of 3-amino-2-hydroxypropanesulfonic acid having anticonvulsivant activity and pharmaceutical compositions containing same for the therapeutical treatment of epilepsy SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 1989-03-29 EP disclosed