SCHEMBL6959828

SCHEMBL6959828

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 1.00
MCL1 Q07820 2/20 0.57
BCL2 P10415 1/20 0.57
BID P55957 1/20 0.57
NOD1 Q9Y239 5/20 0.53
NOD2 Q9HC29 4/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
DAO P14920 1/20 0.47
ALOX5 P09917 1/20 0.46
ACLY P53396 1/20 0.46
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL13802522 0.86 CCR2 (0.76) CCR2MCL1BCL2BIDNOD1
SCHEMBL6953098 0.86 CCR2 (0.75) CCR2MCL1BCL2BIDACLY
SCHEMBL6963990 0.85 CCR2 (0.74) CCR2MCL1BCL2BIDNOD1
SCHEMBL6596517 0.85 CCR2 (0.73) CCR2MCL1BCL2BIDNOD1
SCHEMBL4121234 0.84 CCR2 (0.72) CCR2MCL1BCL2BIDNOD1
SCHEMBL31599460 0.84 CCR2 (0.72) CCR2MCL1BCL2BIDNOD1
SCHEMBL6955317 0.84 CCR2 (0.73) CCR2MCL1BCL2BIDNOD1
Hydrochloric Acid SCHEMBL4119324 0.83 CCR2 (0.71) CCR2MCL1BCL2BIDNOD1
SCHEMBL6960149 0.82 CCR2 (0.70) CCR2MCL1BCL2BIDNOD1
SCHEMBL16794402 0.81 NOD1 (0.71) CCR2MCL1BCL2BIDNOD1

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