SCHEMBL7312082

SCHEMBL7312082

O=S(=O)(c1c(F)c[c]c(F)c1F)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ENPP2 Q13822 2/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
LPAR1 Q92633 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL7305504 0.81 PKM (0.49) SMN1; SMN2TSHRPOLBALDH1A1ENPP2
SCHEMBL7303376 0.74 TSHR (0.48) SMN1; SMN2TSHRPOLBALDH1A1ENPP2
SCHEMBL7313228 0.73 CNR1 (0.47) SMN1; SMN2TSHRPOLBALDH1A1ENPP2
SCHEMBL4580127 0.72 PKM (0.76) SMN1; SMN2TSHRPOLBPKMPKLR
SCHEMBL3343329 0.68 PKM (0.58) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL7314488 0.65 TSHR (0.55) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL2769910 0.64 POLB (0.73) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL7309950 0.64 TSHR (0.57) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL7301268 0.64 SMN1; SMN2 (0.50) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL3300806 0.64 TSHR (0.75) SMN1; SMN2TSHRPOLBALDH1A1PKM

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
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed