SCHEMBL3129504

SCHEMBL3129504

COC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 5/20 0.63
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP2C9 P11712 1/20 0.62
EDNRA P25101 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
PRMT6 Q96LA8 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP1A2 P05177 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
SCN3A Q9NY46 2/20 0.59
PPIA P62937 1/20 0.56

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
SCHEMBL1351351 0.86 MEN1 (0.71) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL3130823 0.85 ALDH1A1 (0.67) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL3278437 0.83 ALDH1A1 (0.69) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL9230514 0.82 PKM (0.90) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL3127889 0.80 SCN9A (0.57) MEN1KMT2APKMALDH1A1SCN3A
SCHEMBL3127241 0.80 MEN1 (0.60) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL14408123 0.80 SCN3A (0.61) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL15116291 0.80 PTPN1 (0.82) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL8388562 0.80 PPIA (0.76) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL1650814 0.80 ALDH1A1 (0.72) MEN1KMT2APKMALDH1A1LMNA

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
WO-2010035166-A1 BENZAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-04-01 WO disclosed
WO-2010035166-A1 BENZAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-04-01 WO disclosed