SCHEMBL19917702

SCHEMBL19917702

CC(C)N(CC(=O)NCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 19/20 0.53
▸ PTGES O14684 1/20 0.38

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
SCHEMBL19917694 0.87 TRPA1 (0.51) TRPA1
SCHEMBL19917749 0.86 TRPA1 (0.54) TRPA1PTGES
SCHEMBL16894095 0.84 TRPA1 (0.64) TRPA1
SCHEMBL19917703 0.82 TRPA1 (0.51) TRPA1PTGES
SCHEMBL19917779 0.82 TRPA1 (0.43) TRPA1
SCHEMBL19917782 0.79 TRPA1 (0.51) TRPA1PTGES
SCHEMBL19917744 0.78 TRPA1 (0.45) TRPA1PTGES
SCHEMBL19917728 0.78 TRPA1 (0.46) TRPA1PTGES
SCHEMBL19917737 0.78 TRPA1 (0.57) TRPA1
SCHEMBL19917661 0.76 TRPA1 (0.43) TRPA1

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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