SCHEMBL6956075

SCHEMBL6956075

O=C(O)Oc1c(Br)c2cc(F)ccc2n1S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
PTGDR Q13258 2/20 0.45
HTR6 P50406 7/20 0.43
RORC P51449 3/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 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
SCHEMBL6959350 0.89 HTR6 (0.51) HTR6RORCTP53MAPTPPARG
SCHEMBL6956072 0.85 PTGDR2 (0.47) PTGDR2PTGDRHTR6RORCAKR1C3
SCHEMBL6959196 0.78 HTR6 (0.51) HTR6RORCTP53MAPTPPARG
SCHEMBL7950689 0.74 PTGDR2 (0.46) PTGDR2PTGDRHTR6AKR1C3AKR1C2
SCHEMBL6958670 0.73 HTR6 (0.53) HTR6RORCTP53MAPTPPARG
SCHEMBL6956546 0.70 HTR6 (0.49) HTR6TP53MAPTPPARGLMNA
SCHEMBL6952671 0.67 HTR6 (0.53) HTR6RORCTP53MAPTPPARG
SCHEMBL7072707 0.65 MAPT (0.54) TP53MAPTPPARGLMNA
SCHEMBL6952676 0.65 CCR2 (0.61) HTR6RORCTP53MAPTPPARG
SCHEMBL28207564 0.64 HTR6 (0.57) HTR6TP53MAPT

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 1 patent. 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