SCHEMBL6954079

SCHEMBL6954079

O=C(O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 11/20 0.56
CCR2 P41597 1/20 0.53
PPARG P37231 6/20 0.52
MCL1 Q07820 2/20 0.48
BCL2 P10415 1/20 0.48
BID P55957 1/20 0.48
PPARA Q07869 4/20 0.45
PPARD Q03181 4/20 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
SCHEMBL6961229 0.87 PTGS2 (0.51) ACLYPPARGPPARAPPARD
SCHEMBL6953098 0.83 CCR2 (0.75) ACLYCCR2PPARGMCL1BCL2
SCHEMBL6959898 0.82 ACLY (0.61) ACLYCCR2PPARGMCL1BCL2
SCHEMBL741459 0.81 ACLY (0.64) ACLYCCR2PPARGMCL1BCL2
SCHEMBL22003888 0.81 ACLY (0.67) ACLYCCR2PPARGMCL1BCL2
SCHEMBL6958148 0.81 MCL1 (0.55) ACLYCCR2PPARGMCL1BCL2
SCHEMBL3137788 0.78 ACLY (0.63) ACLYCCR2PPARGMCL1BCL2
SCHEMBL13802526 0.76 CCR2 (0.54) ACLYCCR2PPARGMCL1BCL2
SCHEMBL5250607 0.75 PPARG (0.57) ACLYCCR2PPARGMCL1BCL2
SCHEMBL4375022 0.74 ACLY (0.61) ACLYCCR2PPARGPPARAPPARD

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 8 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 claimed
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 claimed
EP-1001935-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 2000-05-24 EP claimed
WO-1999007678-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO claimed
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