SCHEMBL19917672

SCHEMBL19917672

CC(C)N(CC(=O)NCc1ccc(F)c(-c2ccc(C(F)(F)F)cc2)c1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.42
▸ TRPA1 O75762 7/20 0.40
▸ PTGES O14684 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PTGER1 P34995 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
SCHEMBL19917764 0.90 CASR (0.39) CASRTRPA1PTGESMEN1KMT2A
SCHEMBL19917693 0.90 CASR (0.56) CASRTRPA1MEN1KMT2APPARA
SCHEMBL19917688 0.88 CASR (0.38) CASRTRPA1NPC1RAB9APPARA
SCHEMBL19917749 0.87 TRPA1 (0.54) TRPA1PTGES
SCHEMBL19917732 0.86 TRPA1 (0.54) CASRTRPA1MEN1KMT2A
SCHEMBL19917669 0.85 TRPA1 (0.43) TRPA1NPC1RAB9AHPGDPPARA
SCHEMBL19917755 0.85 TRPA1 (0.47) TRPA1KMT2A
SCHEMBL19917690 0.83 TRPA1 (0.43) TRPA1
SCHEMBL16894112 0.83 TRPA1 (0.56) TRPA1PTGER1
SCHEMBL19917714 0.82 TRPA1 (0.42) CASRTRPA1

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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