SCHEMBL4562545

SCHEMBL4562545

COc1ccc(S(=O)(=O)n2c(N)cc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.62
CXCL8 P10145 1/20 0.62
HTR6 P50406 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 1/20 0.45
NOD2 Q9HC29 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
SCHEMBL4060858 0.84 NOD1 (0.59) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL30558134 0.81 NOD1 (0.53) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL14502515 0.81 NOD1 (0.53) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL4065867 0.81 NOD1 (0.62) NOD1CXCL8HTR6CA12CA2
SCHEMBL13114468 0.80 CCR2 (0.64) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL10767782 0.79 NOD1 (0.62) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL28523374 0.78 CA12 (0.60) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL6867482 0.75 RECQL (0.58) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL6860277 0.75 RECQL (0.58) NOD1CXCL8HTR6L3MBTL1POLB
SCHEMBL13767757 0.74 NOD1 (0.46) NOD1CXCL8HTR6L3MBTL1POLB

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-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO claimed