SCHEMBL19917696

SCHEMBL19917696

CC(C)N(CC(=O)NCc1cccc(-c2cnc(C(F)(F)F)nc2)c1)Sc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 16/20 0.48
▸ SRC P12931 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19917750 0.87 TRPA1 (0.53) TRPA1LMNA
SCHEMBL19917703 0.87 TRPA1 (0.51) TRPA1LMNA
SCHEMBL19917733 0.86 TRPA1 (0.55) TRPA1SRCLMNAALDH1A1
SCHEMBL19917730 0.85 TRPA1 (0.44) TRPA1SRCLMNAALDH1A1
SCHEMBL19917743 0.85 TRPA1 (0.45) TRPA1
SCHEMBL19917662 0.83 TRPA1 (0.43) TRPA1LMNAALDH1A1
SCHEMBL16894237 0.82 TRPA1 (0.68) TRPA1
SCHEMBL19917694 0.82 TRPA1 (0.51) TRPA1SRC
SCHEMBL19917687 0.80 TRPA1 (0.54) TRPA1SRCALDH1A1
SCHEMBL19917783 0.80 TRPA1 (0.51) 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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