SCHEMBL29953394

SCHEMBL29953394

O=Cc1cnc2cc(I)n(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.38
CXCL8 P10145 1/20 0.38
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
RECQL P46063 1/20 0.36
FGFR1 P11362 1/20 0.36
LMNA P02545 3/20 0.34
PTGER4 P35408 1/20 0.34
GAA P10253 1/20 0.34
ALDH3A1 P30838 3/20 0.34
SLC9A1 P19634 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL29956476 0.80 PTGER4 (0.37) NOD1CXCL8METSRCRECQL
SCHEMBL21147693 0.77 MET (0.58) NOD1CXCL8METSRCRECQL
SCHEMBL17714324 0.73 NOD1 (0.42) NOD1CXCL8METSRCRECQL
SCHEMBL21295049 0.69 MET (0.52) NOD1CXCL8METSRCRECQL
SCHEMBL29847207 0.69 MET (0.52) NOD1CXCL8METSRCRECQL
SCHEMBL31354824 0.68 NOD1 (0.40) NOD1CXCL8METSRCRECQL
SCHEMBL7014825 0.68 CA12 (0.55) NOD1CXCL8METSRCRECQL
SCHEMBL21115189 0.68 HTR6 (0.44) NOD1CXCL8METSRCRECQL
SCHEMBL21147084 0.68 ALDH1A1 (0.41) NOD1CXCL8METSRCRECQL
SCHEMBL4775939 0.66 HTR6 (0.51) SRCPTGER4ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed