SCHEMBL13629587

SCHEMBL13629587

O=C(CN1CCc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2ncns2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.57
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SCN9A Q15858 12/20 0.41
MGAT2 Q10469 1/20 0.40
GAA P10253 1/20 0.40
SCN5A Q14524 3/20 0.40

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
SCHEMBL1102069 0.92 SCN3A (0.55) SCN3AMEN1KMT2ASCN9AMGAT2
SCHEMBL9972209 0.86 SCN3A (0.57) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL13637929 0.84 SCN3A (0.41) SCN3AMEN1KMT2ANPY5RALDH1A1
SCHEMBL1102024 0.82 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9972260 0.81 MEN1 (0.54) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL1102115 0.79 CHRM2 (0.52) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL1102139 0.78 LMNA (0.57) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL1102023 0.77 KMT2A (0.57) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9972210 0.76 AVPR2 (0.57) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL13828035 0.75 PKM (0.63) SCN3AMEN1KMT2AALDH1A1MAPT

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
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed