SCHEMBL19917743

SCHEMBL19917743

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)Sc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.45
▸ CCR1 P32246 1/20 0.38
▸ PTGES O14684 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ TP53 P04637 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
SCHEMBL19917773 0.93 TRPA1 (0.45) TRPA1PTGESMEN1KMT2AWNT3A
SCHEMBL19917752 0.89 TRPA1 (0.41) TRPA1CCR1PTGESTDP1TP53
SCHEMBL19917730 0.88 TRPA1 (0.44) TRPA1TP53
SCHEMBL19917733 0.88 TRPA1 (0.55) TRPA1MEN1KMT2A
SCHEMBL19917781 0.87 TRPA1 (0.41) TRPA1CCR1PTGESTDP1TP53
SCHEMBL19917662 0.86 TRPA1 (0.43) TRPA1MEN1KMT2ATP53
SCHEMBL19917696 0.85 TRPA1 (0.48) TRPA1
SCHEMBL16894136 0.83 TRPA1 (0.60) TRPA1
SCHEMBL19917744 0.83 TRPA1 (0.45) TRPA1CCR1PTGESTDP1MEN1
SCHEMBL16894139 0.81 TRPA1 (0.47) TRPA1TDP1

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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