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Sugi Predict / Compounds / Trifluoromethanesulfonamide

Trifluoromethanesulfonamide

Trifluoromethanesulfonamide

SCHEMBL5031352

Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(C4=C(C(=O)O)CC=C4)s3)c2n1.NS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.33
▸ AGTR2 P50052 1/20 0.33

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
Methanesulfonamide SCHEMBL5029375 0.94 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8706908 0.92 AGTR1 (0.37) AGTR1AGTR2
Benzenesulfonamide SCHEMBL5031361 0.91 AGTR1 (0.36) AGTR1AGTR2
Trifluoromethanesulfonamide SCHEMBL242723 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7425643 0.80 AGTR1 (0.41) AGTR1AGTR2
Benzenesulfonamide SCHEMBL244422 0.79 AGTR1 (0.39) AGTR1AGTR2
P-Toluenesulfonamide SCHEMBL244006 0.78 AGTR1 (0.35) AGTR1AGTR2
Trifluoromethanesulfonamide SCHEMBL2877173 0.77 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL245008 0.72 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL2876441 0.70 AGTR1 (0.38) AGTR1AGTR2

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
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 — — EP disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 — — WO disclosed
EP-1830869-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-12 — — EP disclosed
WO-2006066361-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2006-06-29 — — WO disclosed
US-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 — — US disclosed