SCHEMBL19917699

SCHEMBL19917699

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1)[S+]([O-])c1ccc(Cl)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.38
▸ SYK P43405 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ RORC P51449 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CARM1 Q86X55 2/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19917706 0.91 TRPA1 (0.38) TRPA1SYKPTGESRORC
SCHEMBL19917661 0.88 TRPA1 (0.43) TRPA1SYKRORCMEN1POLB
SCHEMBL16894123 0.84 TRPA1 (0.49) TRPA1PTGESRORCMEN1KMT2A
SCHEMBL19917700 0.83 TRPA1 (0.40) TRPA1SYKPTGESRORCMEN1
SCHEMBL19917728 0.80 TRPA1 (0.46) TRPA1SYKPTGESGAA
SCHEMBL19917744 0.78 TRPA1 (0.45) TRPA1PTGESMEN1KMT2A
SCHEMBL19917775 0.76 TRPA1 (0.44) TRPA1PTGESRORC
SCHEMBL19917694 0.76 TRPA1 (0.51) TRPA1GAA
SCHEMBL16894082 0.75 TRPA1 (0.51) TRPA1PTGESRORCMEN1KMT2A
SCHEMBL16894173 0.74 TRPA1 (0.61) 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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