SCHEMBL1287410

SCHEMBL1287410

CCOc1ccc(S(=O)(=O)N(CCCc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 14/20 0.72
CXCR3 P49682 3/20 0.65
PTGES O14684 2/20 0.65
TAS2R8 Q9NYW2 1/20 0.65
CNR2 P34972 1/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
POLB P06746 1/20 0.63

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
SCHEMBL1615462 0.91 TAS2R14 (0.78) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1169679 0.91 TAS2R14 (0.78) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1287314 0.89 MEN1 (0.77) TAS2R14CXCR3PTGESTAS2R8KMT2A
SCHEMBL1287512 0.86 CNR2 (0.62) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1287503 0.85 TAS2R14 (0.71) TAS2R14CXCR3PTGESTAS2R8KMT2A
SCHEMBL1278914 0.84 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8KMT2A
SCHEMBL1615931 0.84 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8KMT2A
SCHEMBL1287273 0.83 MEN1 (0.89) TAS2R14CXCR3PTGESTAS2R8CNR2
SCHEMBL1287407 0.83 TAS2R14 (0.81) TAS2R14CXCR3PTGESKMT2AMEN1
SCHEMBL1287359 0.83 TAS2R14 (0.83) TAS2R14CXCR3PTGESTAS2R8KMT2A

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
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed