SCHEMBL6461535

SCHEMBL6461535

CN(C)CCCNS(=O)(=O)CCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL11626105 0.82 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6458447 0.81 NPC1 (0.53) L3MBTL1NPC1RAB9AMMP1MMP7
Hydrochloric Acid SCHEMBL11185333 0.81 MEN1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6454767 0.79 L3MBTL1 (0.47) L3MBTL1MMP1MMP7MMP8MMP12
SCHEMBL11189793 0.76 MEN1 (0.56) MEN1KMT2AL3MBTL1
SCHEMBL687767 0.75 PTGS1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10072753 0.74 GAA (0.53) MEN1KMT2AL3MBTL1
SCHEMBL688497 0.74 GAA (0.53) MEN1KMT2AL3MBTL1
SCHEMBL688533 0.73 L3MBTL1 (0.53) L3MBTL1ALDH1A1
SCHEMBL687746 0.72 L3MBTL1 (0.52) L3MBTL1ALDH1A1

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
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed