SCHEMBL5991434

SCHEMBL5991434

O=Cc1ccc(Cl)cc1Oc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HSPB1 P04792 3/20 0.40
▸ TTR P02766 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL22809757 0.89 ALDH1A1 (0.44) SCN8ASCN10ATDP1ALDH1A1HTT
SCHEMBL18570512 0.88 TTR (0.48) SCN8ASCN10ATDP1SLC6A2SLC6A4
SCHEMBL4509584 0.86 TDP1 (0.44) TDP1ALDH1A1HTTSLC6A2SLC6A4
SCHEMBL5992341 0.85 SCN8A (0.47) SCN8ASCN10ATDP1ALDH1A1SLC6A2
SCHEMBL18570618 0.84 SCN8A (0.47) SCN8ASCN10ATDP1ALDH1A1SLC6A2
SCHEMBL21129891 0.83 HSPB1 (0.41) SCN8ASCN10AALDH1A1HTTHSPB1
SCHEMBL19524123 0.82 ERN1 (0.41) ALDH1A1HTTHSPB1TRPA1EPAS1
SCHEMBL5991889 0.81 LMNA (0.46) SCN8ASCN10ATDP1ALDH1A1SLC6A4
SCHEMBL275968 0.80 HSPB1 (0.46) ALDH1A1HTTHSPB1TRPA1EPAS1
SCHEMBL5988752 0.79 SCN8A (0.47) SCN8ASCN10AALDH1A1HTTHSPB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 — — EP disclosed
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 — — EP disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO disclosed
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