SCHEMBL19917765

SCHEMBL19917765

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.47
▸ KMT2A Q03164 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ POLQ O75417 1/20 0.34
▸ SLC6A9 P48067 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
SCHEMBL19917755 0.90 TRPA1 (0.47) TRPA1KMT2ATRPV1
SCHEMBL19917774 0.90 TRPA1 (0.46) TRPA1KIF11PPARD
SCHEMBL19917762 0.87 NPC1 (0.46) KMT2A
SCHEMBL19917704 0.85 TRPA1 (0.50) TRPA1KMT2A
SCHEMBL19917764 0.85 CASR (0.39) TRPA1KMT2A
SCHEMBL19917771 0.83 KMT2A (0.37) TRPA1KMT2A
SCHEMBL16894260 0.82 KMT2A (0.57) TRPA1KMT2A
SCHEMBL19917760 0.81 TRPA1 (0.46) TRPA1KMT2AKIF11PPARDPOLQ
SCHEMBL19917753 0.81 TRPA1 (0.41) TRPA1KMT2A
SCHEMBL16894100 0.79 TRPA1 (0.54) TRPA1KMT2A

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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