SCHEMBL8317489

SCHEMBL8317489

CCOc1nsnc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL8441125 0.85 CHRM1 (0.38) CA12CA1CA2CA9CHRM1
SCHEMBL7853429 0.82 CHRM1 (0.47) CA12CA1CA2CA9CHRM1
SCHEMBL7893440 0.80 CHRM1 (0.43) CHRM1
SCHEMBL4275273 0.78 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL9038054 0.77
SCHEMBL8445757 0.75 CHRM1 (0.32) CA12CA1CA2CA9CHRM1
SCHEMBL8166930 0.67
SCHEMBL8178416 0.67
SCHEMBL9638680 0.67 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL9637581 0.66 CA12 (0.34) CA12CA1CA2CA9ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
US-5929247-A METHODS OF SYNTHESIZING 1,2,5-THIADIAZOLE COMPOUNDS SUCH AS 3-PROPYLTHIO-4-HYDROXY-1,2,5-THIADIAZOLE, USEFUL IN TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MUSCARINIC CHOLINERGIC SYSTEM MALFUNCTIONING ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5852037-A Method for treating anxiety ELI LILLY AND COMPANY (US) 1998-12-22 US disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
US-5821370-A MUSCARINIC CHOLINERGIC DRUGS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5821371-A 1,2,5-THIADIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE ELI LILLY AND COMANY (US) 1998-10-13 US disclosed
US-5672709-A INTERMEDIATES FOR DRUGS USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
US-5646289-A REACTING A 3-CHLORO-1,2,5-THIADIAZOLE WITH ALKALI METAL BIS(TRIALKYL OR ARYLSILYL)AMIDE; DECHLORINATION; TREATING NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed