SCHEMBL6700698

SCHEMBL6700698

CCc1c(-c2ccsc2)cccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.39
STAT3 P40763 1/20 0.38
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
PTPRC P08575 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
TMIGD3 P0DMS9 2/20 0.35

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
SCHEMBL6428044 0.80 CA1 (0.41) STAT3CA2CA9CA12CA1
SCHEMBL6700703 0.79 CA2 (0.40) STAT3CA2CA9CA12CA1
SCHEMBL6111191 0.73 CA2 (0.46) STAT3CA2CA9CA12CA1
SCHEMBL2170005 0.71 CA2 (0.42) STAT3CA2CA9CA12CA1
SCHEMBL30340124 0.70 CYP2A6 (0.47) EDNRAPTPRCMEN1KMT2AUSP2
SCHEMBL12819940 0.70 CYP2A6 (0.47) EDNRAPTPRCMEN1KMT2AUSP2
SCHEMBL4788421 0.70 CA2 (0.55) STAT3CA2CA9CA12CA1
SCHEMBL9108195 0.70 CA2 (0.55) STAT3CA2CA9CA12CA1
SCHEMBL27200808 0.69 PRMT6 (0.48) EDNRACA2CA1PTPRC
SCHEMBL6111776 0.69 SCN9A (0.42) CA2CA9CA12CA1MEN1

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-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO claimed