SCHEMBL6963990

SCHEMBL6963990

COC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.74
NOD1 Q9Y239 5/20 0.60
NOD2 Q9HC29 4/20 0.60
BCL2 P10415 1/20 0.46
BID P55957 1/20 0.46
MCL1 Q07820 1/20 0.46
ALOX5 P09917 1/20 0.46
ALDH3A1 P30838 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL6964954 0.87 CCR2 (0.56) CCR2NOD1NOD2PTGS2
SCHEMBL6595442 0.86 CCR2 (0.55) CCR2NOD1NOD2ALDH1A1HDAC3
SCHEMBL6965196 0.86 NOD2 (0.60) CCR2NOD1NOD2BCL2BID
SCHEMBL6959828 0.85 CCR2 (1.00) CCR2NOD1NOD2BCL2BID
SCHEMBL9617940 0.85 NOD2 (0.64) CCR2NOD1NOD2BCL2BID
SCHEMBL14627380 0.84 NOD1 (0.78) CCR2NOD1NOD2BCL2BID
SCHEMBL10767782 0.83 NOD1 (0.62) CCR2NOD1NOD2BCL2BID
SCHEMBL6960221 0.83 CCR2 (0.51) CCR2NOD1NOD2ALDH3A1ALDH1A1
SCHEMBL6598140 0.83 CCR2 (0.54) CCR2NOD1NOD2BCL2BID
SCHEMBL6953247 0.80 CCR2 (0.48) CCR2NOD1NOD2ALDH3A1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001935-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
US-6288103-B1 MONOCYTE CHEMOATTRACTANT PROTEINS ANTAGONIST SUCH AS N-(3-CHLOROPHENYLSULPHONYL)INDOLE-2-CARBOXYLIC ACID; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2001-09-11 US disclosed
EP-1001935-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 2000-05-24 EP disclosed
WO-1999007678-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed