SCHEMBL7558142

SCHEMBL7558142

CC(S)S(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.61
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
HIF1A Q16665 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
EDNRA P25101 9/20 0.50
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1105200 0.87 CA2 (0.65) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL6046339 0.84 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3116246 0.80 CA2 (0.69) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL27495668 0.79 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3762979 0.78 CA2 (0.54) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1268593 0.78 CA2 (0.54) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9019311 0.78 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1131010 0.78 CA2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL14176763 0.77 CA2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL22068731 0.77 CA2 (0.60) 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