SCHEMBL6958472

SCHEMBL6958472

COC(=O)c1c(Cl)c2ccccc2n1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.49
PPARG P37231 3/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 1/20 0.42
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
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 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
SCHEMBL7950689 0.89 PTGDR2 (0.46) HTR6PPARGCACNA1B
SCHEMBL6956546 0.88 HTR6 (0.49) HTR6PPARGTP53MAPTMEN1
SCHEMBL6952671 0.87 HTR6 (0.53) HTR6PPARGTP53MAPTMEN1
SCHEMBL6959196 0.81 HTR6 (0.51) HTR6PPARGTP53MAPTMEN1
SCHEMBL6958670 0.76 HTR6 (0.53) HTR6PPARGTP53MAPTMEN1
SCHEMBL28541534 0.76 PPARG (0.56) PPARGTP53MAPTLMNA
SCHEMBL6855291 0.75 PPARG (0.60) HTR6PPARG
SCHEMBL6858321 0.75 PPARG (0.57) HTR6PPARG
SCHEMBL28207564 0.74 HTR6 (0.57) HTR6TP53MAPTCA1CA2
SCHEMBL6959350 0.72 HTR6 (0.51) HTR6PPARGTP53MAPTMEN1

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 4 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 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