SCHEMBL16635170

SCHEMBL16635170

COc1cc(Br)cc(CNC(=O)C2CC(F)CN2S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.70

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
SCHEMBL16647992 1.00 TRPA1 (0.70) TRPA1
SCHEMBL16634838 0.89 TRPA1 (0.70) TRPA1
SCHEMBL20515394 0.89 TRPA1 (0.70) TRPA1
SCHEMBL16634893 0.89 TRPA1 (0.70) TRPA1
SCHEMBL20113369 0.88 TRPA1 (0.62) TRPA1
SCHEMBL16634864 0.86 TRPA1 (0.62) TRPA1
SCHEMBL16647949 0.86 TRPA1 (0.62) TRPA1
SCHEMBL21716548 0.86 ATM (0.58) TRPA1
SCHEMBL16635433 0.83 TRPA1 (0.73) TRPA1
SCHEMBL16647776 0.82 TRPA1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed