SCHEMBL31297250

SCHEMBL31297250

COc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)Nc2cccc(C(N)=O)c2)c(F)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 1/20 0.56
▸ SCN10A Q9Y5Y9 1/20 0.56
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL20644073 1.00 SCN8A (0.56) SCN8ASCN10ANPC1RAB9AMEN1
SCHEMBL20644052 0.92 SCN8A (0.66) SCN8ASCN10ANPC1RAB9AMAPT
SCHEMBL30530136 0.92 SCN8A (0.66) SCN8ASCN10ANPC1RAB9AMAPT
SCHEMBL20644033 0.90 KCNK3 (0.53) SCN8ASCN10ARAB9AMEN1KMT2A
SCHEMBL20644046 0.85 SCN8A (0.66) SCN8ASCN10AMAPT
SCHEMBL31297281 0.85 SCN8A (0.66) SCN8ASCN10AMAPT
SCHEMBL25375191 0.85 SCN8A (0.64) SCN8ASCN10ANPC1RAB9AMAPT
SCHEMBL16408396 0.85 — —
SCHEMBL20644107 0.84 SCN8A (0.62) SCN8ASCN10A
SCHEMBL20638927 0.82 SCN8A (0.52) SCN8ASCN10A

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-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 — — EP disclosed
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