SCHEMBL7305589

SCHEMBL7305589

O=S(=O)(c1[c]c(F)cc(F)c1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7314488 0.79 TSHR (0.55) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL7301268 0.77 SMN1; SMN2 (0.50) SMN1; SMN2TSHRPOLBALDH1A1MAPK1
SCHEMBL7308952 0.72 TSHR (0.43) SMN1; SMN2TSHRPOLBALDH1A1LMNA
SCHEMBL7303376 0.72 TSHR (0.48) SMN1; SMN2TSHRPOLBALDH1A1CNR1
SCHEMBL2769910 0.68 POLB (0.73) SMN1; SMN2TSHRPOLBALDH1A1MAPK1
SCHEMBL7313228 0.68 CNR1 (0.47) SMN1; SMN2TSHRPOLBALDH1A1MAPK1
SCHEMBL7309950 0.68 TSHR (0.57) SMN1; SMN2TSHRPOLBALDH1A1MAPK1
SCHEMBL4578854 0.67 CNR1 (0.66) SMN1; SMN2TSHRALDH1A1CNR1PKM
SCHEMBL29483599 0.67 PKM (0.66) SMN1; SMN2TSHRPOLBALDH1A1PKM
SCHEMBL7305504 0.66 PKM (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed