SCHEMBL6958670

SCHEMBL6958670

O=C(O)c1c(Br)c2ccccc2n1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.53
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
RORC P51449 1/20 0.41
PTGES O14684 1/20 0.41
KAT6A Q92794 1/20 0.40

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
SCHEMBL6956072 0.88 PTGDR2 (0.47) HTR6TP53MAPTLMNAHTT
SCHEMBL6956546 0.87 HTR6 (0.49) HTR6TP53MAPTLMNAMEN1
SCHEMBL6952671 0.86 HTR6 (0.53) HTR6TP53MAPTLMNAHTT
SCHEMBL6959350 0.84 HTR6 (0.51) HTR6TP53MAPTLMNAHTT
SCHEMBL6829775 0.84 AKR1C3 (0.48) HTR6LMNAMEN1KMT2A
SCHEMBL6855291 0.79 PPARG (0.60) HTR6PPARGPPARARORC
SCHEMBL6958472 0.76 HTR6 (0.49) HTR6TP53MAPTLMNAMEN1
SCHEMBL6959196 0.76 HTR6 (0.51) HTR6TP53MAPTLMNAHTT
SCHEMBL6952676 0.75 CCR2 (0.61) HTR6TP53MAPTLMNAHTT
SCHEMBL12748628 0.75 AKR1C3 (0.62) HTR6TP53MAPTLMNAHTT

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