SCHEMBL19917756

SCHEMBL19917756

CC(C)N(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1F)Sc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 14/20 0.46
▸ LMNA P02545 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL19917760 0.87 TRPA1 (0.46) TRPA1LMNADDR1PPARDKIF11
SCHEMBL19917733 0.86 TRPA1 (0.55) TRPA1LMNAPTGER1
SCHEMBL19917776 0.86 TRPA1 (0.45) TRPA1LMNADDR1PPARDKIF11
SCHEMBL19917673 0.85 CASR (0.42) TRPA1LMNAPTGER1
SCHEMBL19917670 0.85 TRPA1 (0.44) TRPA1LMNAPTGER1
SCHEMBL19917691 0.83 KDM1A (0.45) TRPA1LMNAPTGER1
SCHEMBL19917716 0.81 TRPA1 (0.41) TRPA1LMNA
SCHEMBL16894090 0.81 TRPA1 (0.57) TRPA1
SCHEMBL19917755 0.80 TRPA1 (0.47) TRPA1TRPV1
SCHEMBL16894260 0.79 KMT2A (0.57) TRPA1PTGER1

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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