SCHEMBL19917703

SCHEMBL19917703

CC(C)N(CC(=O)NCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1)Sc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 18/20 0.51
▸ PTGES O14684 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL19917696 0.87 TRPA1 (0.48) TRPA1LMNA
SCHEMBL19917750 0.86 TRPA1 (0.53) TRPA1PTGESLMNA
SCHEMBL16894095 0.83 TRPA1 (0.64) TRPA1
SCHEMBL19917702 0.82 TRPA1 (0.53) TRPA1PTGES
SCHEMBL19917780 0.81 TRPA1 (0.43) TRPA1PTGES
SCHEMBL19917743 0.78 TRPA1 (0.45) TRPA1PTGES
SCHEMBL19917730 0.78 TRPA1 (0.44) TRPA1LMNA
SCHEMBL19917783 0.78 TRPA1 (0.51) TRPA1PTGES
SCHEMBL19917738 0.77 TRPA1 (0.57) TRPA1
SCHEMBL19917691 0.76 KDM1A (0.45) TRPA1LMNA

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