SCHEMBL14201701

SCHEMBL14201701

CCN(CC)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA2 P00918 1/20 0.46
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
EDNRA P25101 3/20 0.41
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SLC40A1 Q9NP59 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
SCHEMBL6931674 0.83 CYP1A2 (0.53) CYP1A2CYP2C19HTTHIF1ATDP1
SCHEMBL8939590 0.82 TTR (0.56) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL1223078 0.82 MYC (0.41) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL133520 0.81 CA2 (0.69) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL29941705 0.81 CA2 (0.69) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL29367067 0.81 CA2 (0.69) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL8373873 0.80 TTR (0.62) TTRCYP1A2CYP2C19HTTHIF1A
Alcohol SCHEMBL29144256 0.80 TTR (0.62) TTRCYP1A2CYP2C19HTTHIF1A
SCHEMBL29861910 0.80 L3MBTL1 (0.43) CYP1A2CYP2C19HTTHIF1ATDP1
Water SCHEMBL29242598 0.79 CA2 (0.67) TTRCYP1A2CYP2C19HTTHIF1A

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
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed