SCHEMBL19917694

SCHEMBL19917694

CC(C)N(CC(=O)NCc1cccc(-c2cnc(C(F)(F)F)nc2)c1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 18/20 0.51
▸ SRC P12931 1/20 0.39
▸ GAA P10253 1/20 0.37

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
SCHEMBL19917749 0.87 TRPA1 (0.54) TRPA1
SCHEMBL19917702 0.87 TRPA1 (0.53) TRPA1
SCHEMBL19917732 0.87 TRPA1 (0.54) TRPA1SRC
SCHEMBL19917744 0.86 TRPA1 (0.45) TRPA1
SCHEMBL19917728 0.86 TRPA1 (0.46) TRPA1SRCGAA
SCHEMBL19917661 0.84 TRPA1 (0.43) TRPA1GAA
SCHEMBL16894237 0.83 TRPA1 (0.68) TRPA1
SCHEMBL19917696 0.82 TRPA1 (0.48) TRPA1SRC
SCHEMBL19917782 0.81 TRPA1 (0.51) TRPA1
SCHEMBL19917686 0.81 TRPA1 (0.53) TRPA1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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