SCHEMBL19917774

SCHEMBL19917774

CCN(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1F)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.46
▸ PPARD Q03181 3/20 0.36
▸ BCHE P06276 1/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL19917765 0.90 TRPA1 (0.47) TRPA1PPARDKIF11
SCHEMBL19917731 0.88 NPC1 (0.43) TRPA1PTGER1PPARA
SCHEMBL19917755 0.87 TRPA1 (0.47) TRPA1
SCHEMBL19917688 0.85 CASR (0.38) TRPA1PTGER1PPARA
SCHEMBL19917653 0.85 TRPA1 (0.38) TRPA1PTGER1PPARA
SCHEMBL19917763 0.83 BACE1 (0.52) TRPA1
SCHEMBL19917735 0.81 TRPA1 (0.40) TRPA1PPARD
SCHEMBL16894100 0.80 TRPA1 (0.54) TRPA1PTGER1
SCHEMBL19917776 0.79 TRPA1 (0.45) TRPA1PPARDBCHEKIF11PPARA
SCHEMBL16894260 0.78 KMT2A (0.57) TRPA1PTGER1

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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