SCHEMBL6557634

SCHEMBL6557634

NC1CCCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
PKM P14618 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL4704361 0.93 GAA (0.61) GAAKDM4EALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL1391938 0.92 GAA (0.59) GAAKDM4EALDH1A1LMNANPC1
SCHEMBL12939717 0.91 GAA (0.69) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL16680003 0.87 LMNA (0.57) GAAKDM4EALDH1A1LMNAAPOBEC3A
SCHEMBL12207333 0.87 LMNA (0.57) GAAKDM4EALDH1A1LMNAAPOBEC3A
SCHEMBL31681325 0.84 GAA (0.68) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL1714190 0.83 GAA (0.54) GAAKDM4EALDH1A1LMNANPC1
SCHEMBL12939715 0.83 MCOLN3 (0.69) KDM4EALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4963034 0.82 GAA (0.53) GAAKDM4EALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL4963047 0.82 GAA (0.53) GAAKDM4EALDH1A1LMNANPC1

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-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed