SCHEMBL6966440

SCHEMBL6966440

O=C(O)Oc1cc2ccccc2n1S(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
HTR6 P50406 1/20 0.41
ACLY P53396 3/20 0.37
NOD2 Q9HC29 3/20 0.36
NOD1 Q9Y239 3/20 0.36
PTGER3 P43115 4/20 0.36
BCL2 P10415 1/20 0.35
BID P55957 1/20 0.35
MCL1 Q07820 1/20 0.35
EPHX2 P34913 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.32
RECQL P46063 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL6958067 0.82 CCR2 (0.62) CCR2HTR6ACLYNOD2NOD1
SCHEMBL6960149 0.80 CCR2 (0.70) CCR2HTR6ACLYNOD2NOD1
SCHEMBL6965626 0.78 NOD2 (0.50) CCR2HTR6ACLYNOD2NOD1
SCHEMBL6955774 0.77 BCL2 (0.50) CCR2HTR6ACLYNOD2NOD1
SCHEMBL3363385 0.71 NOD2 (0.46) CCR2NOD2NOD1BCL2BID
SCHEMBL6959902 0.68 PPARG (0.53) ACLYALDH1A1PPARG
SCHEMBL6964749 0.67 CCR2 (0.52) CCR2ACLYNOD1PPARG
SCHEMBL4198025 0.65 MCL1 (0.57) MCL1ALDH1A1MAPTRECQL
SCHEMBL9666902 0.64 CCR2 (0.61) CCR2NOD2NOD1ALDH1A1LMNA
SCHEMBL9239991 0.63 CCR2 (0.67) CCR2LMNAMAPT

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
EP-1001935-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-10-08 EP claimed