SCHEMBL4732064

SCHEMBL4732064

O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 2/20 0.77
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
WNT3 P56703 1/20 0.48
SFRP1 Q8N474 1/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47

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
Hydrochloric Acid SCHEMBL6600147 0.99 KMT2A (0.75) KMT2AMEN1ALDH1A1MAPTCA1
Hydrochloric Acid SCHEMBL6582044 0.91 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL2821240 0.90 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL30737179 0.90 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL34474241 0.87 KMT2A (0.94) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL12481279 0.87 KMT2A (0.94) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL15334448 0.87 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL14163384 0.86 KMT2A (0.97) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL2774101 0.84 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL13684627 0.83 MEN1 (0.77) KMT2AMEN1ALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO claimed
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed
EP-1379503-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002079155-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed