SCHEMBL10072969

SCHEMBL10072969

CC(C)Cc1ccc(/C=C/S(=O)(=O)NCCCN(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT3 P36888 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL687386 1.00 GAA (0.43) GAAKMT2AMEN1CA12CA2
SCHEMBL688439 0.80 MEN1 (0.43) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL10072758 0.80 MEN1 (0.43) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL687784 0.79 GAA (0.44) GAAKMT2AMEN1CA12CA2
SCHEMBL10072501 0.79 GAA (0.44) GAAKMT2AMEN1CA12CA2
SCHEMBL688894 0.77 NPC1 (0.46) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL10072754 0.77 NPC1 (0.46) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL687741 0.75 CA12 (0.43) GAAKMT2ACA12CA2CA9
SCHEMBL688293 0.75 NPC1 (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL688555 0.75 GAA (0.43) GAAKMT2AMEN1CA12CA2

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