SCHEMBL19917661

SCHEMBL19917661

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.43
▸ TP53 P04637 1/20 0.39
▸ TRPC5 Q9UL62 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL19917728 0.88 TRPA1 (0.46) TRPA1TP53SYKGAA
SCHEMBL19917699 0.88 TRPA1 (0.38) TRPA1SYKRORCGAAMAPT
SCHEMBL19917744 0.87 TRPA1 (0.45) TRPA1MEN1KMT2A
SCHEMBL16894173 0.84 TRPA1 (0.61) TRPA1
SCHEMBL19917732 0.84 TRPA1 (0.54) TRPA1ALDH1A1RORCMAPTMEN1
SCHEMBL19917694 0.84 TRPA1 (0.51) TRPA1GAA
SCHEMBL19917662 0.83 TRPA1 (0.43) TRPA1TP53TRPC5ALDH1A1SYK
SCHEMBL19917775 0.79 TRPA1 (0.44) TRPA1RORC
SCHEMBL19917782 0.79 TRPA1 (0.51) TRPA1
SCHEMBL19917706 0.78 TRPA1 (0.38) TRPA1SYKRORC

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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