SCHEMBL19917662

SCHEMBL19917662

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1)Sc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.43
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 2/20 0.36
▸ TRPC5 Q9UL62 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MEN1 O00255 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

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 0.88 TRPA1 (0.40) TRPA1GAAMAPTLMNASYK
SCHEMBL19917730 0.87 TRPA1 (0.44) TRPA1TP53MAPTLMNARXFP1
SCHEMBL19917743 0.86 TRPA1 (0.45) TRPA1TP53MEN1KMT2A
SCHEMBL16894173 0.84 TRPA1 (0.61) TRPA1
SCHEMBL19917733 0.83 TRPA1 (0.55) TRPA1MAPTLMNAALDH1A1MEN1
SCHEMBL19917661 0.83 TRPA1 (0.43) TRPA1TP53GAATRPC5MAPT
SCHEMBL19917696 0.83 TRPA1 (0.48) TRPA1LMNAALDH1A1
SCHEMBL19917783 0.79 TRPA1 (0.51) TRPA1
SCHEMBL19917773 0.78 TRPA1 (0.45) TRPA1ALDH1A1MEN1POLBKMT2A
SCHEMBL19917707 0.77 TRPA1 (0.40) TRPA1SYKMEN1POLBKMT2A

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
Send feedback