SCHEMBL22809650

SCHEMBL22809650

O=Cc1ccc(Cl)cc1Oc1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.47
▸ SCN10A Q9Y5Y9 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTR1A P08908 8/20 0.43
▸ SLC6A2 P23975 8/20 0.43
▸ ERN1 O75460 2/20 0.42
▸ SLC6A4 P31645 1/20 0.41
▸ PPARG P37231 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL22809701 0.86 SCN8A (0.48) SCN8ASCN10ATDP1HTR1ASLC6A2
SCHEMBL3325788 0.85 ERN1 (0.41) SCN8ASCN10ATDP1ERN1ALDH1A1
SCHEMBL4509584 0.81 TDP1 (0.44) TDP1SLC6A2ERN1SLC6A4ALDH1A1
SCHEMBL23709745 0.77 TDP1 (0.52) TDP1SLC6A2ERN1SLC6A4ALDH1A1
SCHEMBL5989471 0.75 LMNA (0.42) TDP1HTR1ASLC6A2ERN1SLC6A4
SCHEMBL20535365 0.75 TDP1 (0.57) TDP1SLC6A2ERN1ALDH1A1
SCHEMBL23709944 0.74 SLC6A4 (0.50) TDP1HTR1ASLC6A2ERN1SLC6A4
SCHEMBL5991434 0.74 SCN8A (0.45) SCN8ASCN10ATDP1SLC6A2ERN1
SCHEMBL18570512 0.74 TTR (0.48) SCN8ASCN10ATDP1SLC6A2SLC6A4
SCHEMBL5991889 0.73 LMNA (0.46) SCN8ASCN10ATDP1ERN1SLC6A4

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-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 — — EP disclosed
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