SCHEMBL9978049

SCHEMBL9978049

CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1nncs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MMP8 P22894 2/20 0.47
CES1 P23141 1/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 5/20 0.42
CYP1A2 P05177 2/20 0.42
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9977999 0.78 POLB (0.52) POLBL3MBTL1ALDH1A1MMP8HPGD
SCHEMBL9978211 0.78 POLB (0.60) POLBL3MBTL1GAAALDH1A1MMP8
SCHEMBL9978003 0.77 POLB (0.59) POLBL3MBTL1GAAMMP8HPGD
SCHEMBL9978174 0.75 POLB (0.60) POLBL3MBTL1GAAALDH1A1MMP8
SCHEMBL9978171 0.74 POLB (0.59) POLBL3MBTL1GAAALDH1A1MMP8
SCHEMBL9978179 0.73 MMP1 (0.58) POLBALDH1A1MMP8SMN1; SMN2KMT2A
SCHEMBL9978172 0.73 POLB (0.56) POLBL3MBTL1MMP8CYP2C9CYP2C19
SCHEMBL9977989 0.72 POLB (0.53) POLBL3MBTL1GAAALDH1A1MMP8
SCHEMBL10627832 0.72 POLB (0.77) POLBL3MBTL1GAAMMP8HPGD
SCHEMBL12356333 0.72 POLB (1.00) POLBL3MBTL1GAAALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed