SCHEMBL7558145

SCHEMBL7558145

CN(C)c1cccc2c(S(=O)(=O)CCS)cccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
HIF1A Q16665 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
EDNRA P25101 9/20 0.52
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.46
NSD2 O96028 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APEX1 P27695 1/20 0.45

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
SCHEMBL3806560 0.86 CYP1A2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL13274117 0.85 CYP1A2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1896953 0.84 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1861706 0.84 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL16097557 0.82 CYP1A2 (0.58) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL14539750 0.81 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL472152 0.81 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL8906929 0.81 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL2219412 0.80 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL6416698 0.80 CA2 (0.57) CA2CYP1A2CYP2C19HTTHIF1A

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-1218391-A1 COMPOUNDS FOR PROTECTING HYDROXYLS AND METHODS FOR THEIR USE Quiatech AB (SE) 2002-07-03 EP disclosed
WO-2001025247-A1 COMPOUNDS FOR PROTECTING HYDROXYLS AND METHODS FOR THEIR USE QUIATECH AB (SE) 2001-04-12 WO disclosed