SCHEMBL2626698

SCHEMBL2626698

O=C1C[C@H](N2CCCc3cc(Cl)ccc32)C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
SCN9A Q15858 15/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN3A Q9NY46 1/20 0.45
SCN5A Q14524 9/20 0.44
ALDH1A1 P00352 1/20 0.44
SCN1B Q07699 1/20 0.42
SCN8A Q9UQD0 1/20 0.42

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
SCHEMBL1576404 1.00 KMT2A (0.48) KMT2ASCN9ALMNASMN1; SMN2SCN3A
SCHEMBL12709026 1.00 KMT2A (0.48) KMT2ASCN9ALMNASMN1; SMN2SCN3A
SCHEMBL2626536 0.89 ALDH1A1 (0.59) KMT2ASCN9ALMNAALDH1A1SCN1B
SCHEMBL2626701 0.89 ALDH1A1 (0.59) KMT2ASCN9ALMNAALDH1A1SCN1B
SCHEMBL10310857 0.89 ALDH1A1 (0.59) KMT2ASCN9ALMNAALDH1A1SCN1B
SCHEMBL1576275 0.86 SCN9A (0.52) KMT2ASCN9ALMNASMN1; SMN2SCN5A
SCHEMBL1576868 0.86 SCN9A (0.52) KMT2ASCN9ALMNASMN1; SMN2SCN5A
SCHEMBL1576272 0.86 SCN9A (0.52) KMT2ASCN9ALMNASMN1; SMN2SCN5A
SCHEMBL1576480 0.81 SCN9A (0.53) KMT2ASCN9ALMNASMN1; SMN2SCN5A
SCHEMBL12710655 0.81 SCN9A (0.53) KMT2ASCN9ALMNASMN1; SMN2SCN5A

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
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed