SCHEMBL19563735

SCHEMBL19563735

O=Cc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.46
▸ SCN10A Q9Y5Y9 3/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ EPAS1 Q99814 2/20 0.43
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ AR P10275 1/20 0.40
▸ HSPB1 P04792 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TRPA1 O75762 1/20 0.38

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
SCHEMBL5988752 0.90 SCN8A (0.47) SCN8ASCN10ABRD4EPAS1CYP1A1
SCHEMBL275968 0.86 HSPB1 (0.46) EPAS1HSPB1ALDH1A1HTTTRPA1
SCHEMBL19563643 0.86 SCN8A (0.47) SCN8ASCN10AEPAS1
SCHEMBL22809753 0.86 SCN8A (0.47) SCN8ASCN10AEPAS1
SCHEMBL19563616 0.86 SCN10A (0.47) SCN8ASCN10A
SCHEMBL18570369 0.85 SCN8A (0.48) SCN8ASCN10AEPAS1ALDH1A1
SCHEMBL18570597 0.85 SCN8A (0.48) SCN8ASCN10AALDH1A1
SCHEMBL18570724 0.85 SCN8A (0.48) SCN8ASCN10AALDH1A1
SCHEMBL18570579 0.84 L3MBTL1 (0.46) SCN8ASCN10AEPAS1ALDH1A1
SCHEMBL18570715 0.83 SCN8A (0.49) SCN8ASCN10ACYP1A1CYP1B1ALDH1A1

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-3022175-B1 SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-11-08 — — EP disclosed
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