SCHEMBL879585

SCHEMBL879585

O=C(O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
MEN1 O00255 4/20 0.73
TSHR P16473 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
LMNA P02545 1/20 0.69
PPIA P62937 2/20 0.67
SCN3A Q9NY46 2/20 0.66
SCN1A P35498 1/20 0.66
SCN4A P35499 1/20 0.66
SCN5A Q14524 1/20 0.66
SCN9A Q15858 1/20 0.66
SCN2A Q99250 1/20 0.66
SCN8A Q9UQD0 1/20 0.66
SCN10A Q9Y5Y9 1/20 0.66
CYP3A4 P08684 1/20 0.66
PTGS1 P23219 1/20 0.66
TDP1 Q9NUW8 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 4/20 0.62

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
SCHEMBL11912010 0.85 MEN1 (0.70) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL1102011 0.84 KMT2A (0.76) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL1102252 0.84 KMT2A (1.00) KMT2AMEN1TSHRSMN1; SMN2LMNA
Maleylsulfathiazole SCHEMBL29366629 0.81 MEN1 (0.72) KMT2AMEN1TSHRSMN1; SMN2LMNA
Succinylsulfathiazole SCHEMBL151873 0.81 LMNA (1.00) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL10031625 0.81 KMT2A (0.71) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL27371334 0.81 PPIA (0.80) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL1091178 0.81 LMNA (0.74) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL1101958 0.81 MEN1 (0.75) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL11912014 0.81 KMT2A (0.77) KMT2AMEN1SMN1; SMN2SCN3ASCN1A

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-1934191-B1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-28 EP disclosed