SCHEMBL4636554

SCHEMBL4636554

Nc1cc(S(=O)(=O)Nc2nccs2)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.61
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP2C9 P11712 1/20 0.60
EDNRA P25101 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
PRMT6 Q96LA8 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
DNMT1 P26358 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4636559 0.85 ALDH1A1 (0.67) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL326633 0.78 ALDH1A1 (0.71) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL1576454 0.77 ALDH1A1 (0.66) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL1576300 0.77 ALDH1A1 (0.66) SCN9AALDH1A1LMNAKDM4ECYP2C9
Hydrochloric Acid SCHEMBL27575105 0.77 ALDH1A1 (0.69) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL328567 0.77 ALDH1A1 (0.61) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL9301181 0.77 ALDH1A1 (0.69) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL3070565 0.76 ALDH1A1 (0.68) SCN9AALDH1A1LMNAKDM4ECYP2C9
SCHEMBL16530980 0.76 SCN9A (1.00) SCN9A
SCHEMBL16530789 0.76 SCN9A (1.00) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934191-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
WO-2007047474-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-26 WO disclosed