SCHEMBL10072501

SCHEMBL10072501

CN(C)CCCNS(=O)(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.38
FLT3 P36888 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR3C2 P08235 1/20 0.38
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL687784 1.00 GAA (0.44) GAAALDH1A1CA12CA2CA9
SCHEMBL688948 0.79 LMNA (0.46) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL13310039 0.79 LMNA (0.46) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL687386 0.79 GAA (0.43) GAAALDH1A1CA12CA2CA9
SCHEMBL10072969 0.79 GAA (0.43) GAAALDH1A1CA12CA2CA9
SCHEMBL688555 0.76 GAA (0.43) GAAALDH1A1CA12CA2CA9
SCHEMBL10073334 0.76 GAA (0.43) GAAALDH1A1CA12CA2CA9
SCHEMBL687194 0.74 THRA (0.39) ALDH1A1CA12CA2CA9LMNA
SCHEMBL10072755 0.74 ALDH1A1 (0.50) ALDH1A1CA12CA2CA9LMNA
SCHEMBL688249 0.74 ALDH1A1 (0.50) ALDH1A1CA12CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed