SCHEMBL19917707

SCHEMBL19917707

CC(C)N(CC(=O)NCc1cccc(-c2cnc(C(F)(F)F)cn2)c1)Sc1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.40
▸ SYK P43405 1/20 0.35
▸ PTGES O14684 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PTGER1 P34995 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
SCHEMBL19917700 0.90 TRPA1 (0.40) TRPA1SYKPTGESPOLBMEN1
SCHEMBL19917730 0.90 TRPA1 (0.44) TRPA1SYK
SCHEMBL16894082 0.84 TRPA1 (0.51) TRPA1PTGESMEN1KMT2A
SCHEMBL19917706 0.82 TRPA1 (0.38) TRPA1SYKPTGES
SCHEMBL19917743 0.78 TRPA1 (0.45) TRPA1PTGESMEN1KMT2A
SCHEMBL19917662 0.77 TRPA1 (0.43) TRPA1SYKPOLBMEN1KMT2A
SCHEMBL19917773 0.76 TRPA1 (0.45) TRPA1PTGESPOLBMEN1KMT2A
SCHEMBL16894125 0.76 TRPA1 (0.63) TRPA1
SCHEMBL16894123 0.75 TRPA1 (0.49) TRPA1PTGESMEN1KMT2APTGER1
SCHEMBL19917696 0.75 TRPA1 (0.48) 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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