SCHEMBL8475783

SCHEMBL8475783

CN(C)C=NS(=O)(=O)c1ccc(-n2nc(C#N)c3c2-c2ccc(F)cc2CS3)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.70
PTGS1 P23219 10/20 0.70
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8934173 1.00 PTGS2 (0.70) PTGS2PTGS1LMNAGAA
SCHEMBL8933918 0.96 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8933922 0.96 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8933829 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL14747810 0.76 PTGS2 (0.55) PTGS2PTGS1LMNAGAA
SCHEMBL14747608 0.76 PTGS2 (0.55) PTGS2PTGS1LMNAGAA
SCHEMBL6349332 0.70 LMNA (0.41) PTGS2PTGS1LMNAGAA
SCHEMBL6349331 0.70 LMNA (0.41) PTGS2PTGS1LMNAGAA
SCHEMBL14747816 0.70 LMNA (0.41) PTGS2PTGS1LMNAGAA
SCHEMBL5698663 0.70 PTGS2 (0.82) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed