SCHEMBL19917690

SCHEMBL19917690

CC(C)N(CC(=O)NCc1cncc(-c2ccc(C(F)(F)F)cc2)c1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ RORC P51449 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL19917669 0.88 TRPA1 (0.43) TRPA1
SCHEMBL19917732 0.88 TRPA1 (0.54) TRPA1RORCALDH1A1
SCHEMBL19917714 0.84 TRPA1 (0.42) TRPA1ALDH1A1GAA
SCHEMBL16894121 0.83 TRPA1 (0.59) TRPA1RORCALDH1A1
SCHEMBL19917672 0.83 CASR (0.42) TRPA1
SCHEMBL19917755 0.83 TRPA1 (0.47) TRPA1
SCHEMBL19917691 0.81 KDM1A (0.45) TRPA1KDM1AHDAC1RORCALDH1A1
SCHEMBL19917744 0.81 TRPA1 (0.45) TRPA1
SCHEMBL19917693 0.80 CASR (0.56) TRPA1ALDH1A1GAA
SCHEMBL19917782 0.80 TRPA1 (0.51) 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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