SCHEMBL6956072

SCHEMBL6956072

O=C(O)c1c(Br)c2cc(F)ccc2n1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
PTGDR Q13258 2/20 0.47
HTR6 P50406 5/20 0.44
RORC P51449 2/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
HTT P42858 1/20 0.40
ACLY P53396 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6958670 0.88 HTR6 (0.53) HTR6RORCLMNATP53MAPT
SCHEMBL6956075 0.85 PTGDR2 (0.45) PTGDR2PTGDRHTR6RORCLMNA
SCHEMBL7950689 0.78 PTGDR2 (0.46) PTGDR2PTGDRHTR6AKR1C3AKR1C2
SCHEMBL6952671 0.77 HTR6 (0.53) HTR6RORCLMNATP53MAPT
SCHEMBL6956546 0.76 HTR6 (0.49) HTR6LMNATP53MAPTCACNA1B
SCHEMBL6959350 0.73 HTR6 (0.51) HTR6RORCLMNATP53MAPT
SCHEMBL18422708 0.72 PPARG (0.49) PTGDR2PTGDRHTR6ACLYPPARG
SCHEMBL6829775 0.71 AKR1C3 (0.48) HTR6LMNAAKR1C3ACLYMEN1
SCHEMBL6855291 0.70 PPARG (0.60) HTR6RORCACLYPPARGPPARD
SCHEMBL6952676 0.68 CCR2 (0.61) HTR6RORCLMNATP53MAPT

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