SCHEMBL6444246

SCHEMBL6444246

[CH2]COc1c(C)n(S(=O)(=O)c2ccc(F)cc2)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.48
PTGDR Q13258 4/20 0.46
HTR6 P50406 9/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL6439680 0.93 HTR6 (0.41) PTGDR2PTGDRHTR6LMNA
SCHEMBL6439371 0.91 PTGDR2 (0.43) PTGDR2PTGDRHTR6NOD2NOD1
SCHEMBL6436468 0.89 PTGDR (0.45) PTGDR2PTGDRHTR6NOD2NOD1
SCHEMBL3563498 0.85 HTR6 (0.48) PTGDR2PTGDRHTR6CYP3A4CYP2D6
SCHEMBL6435967 0.84 HTR6 (0.54) PTGDR2PTGDRHTR6NOD2NOD1
SCHEMBL6526507 0.81 LMNA (0.47) HTR6LMNA
SCHEMBL6440894 0.80 PTGDR2 (0.47) PTGDR2PTGDRHTR6NOD2NOD1
SCHEMBL6439590 0.80 HTR6 (0.43) HTR6CYP3A4CYP2D6LMNA
SCHEMBL6440512 0.79 PTGDR2 (0.48) PTGDR2PTGDRHTR6NOD2NOD1
SCHEMBL6441972 0.78 HTR6 (0.43) PTGDR2PTGDRHTR6NOD2NOD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567492-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES Suven Life Sciences Limited (IN) 2005-08-31 EP disclosed
WO-2004048328-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed