SCHEMBL1287322

SCHEMBL1287322

O=C(O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.65
TAS2R14 Q9NYV8 14/20 0.63
CXCR3 P49682 1/20 0.59
TRPM8 Q7Z2W7 2/20 0.57
PTGES O14684 2/20 0.57
TAS2R8 Q9NYW2 1/20 0.56

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
SCHEMBL1287395 0.91 MEN1 (0.69) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287314 0.91 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287407 0.87 TAS2R14 (0.81) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287482 0.86 MEN1 (0.59) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287273 0.85 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287359 0.82 TAS2R14 (0.83) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287503 0.82 TAS2R14 (0.71) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287426 0.82 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1169357 0.81 TAS2R14 (0.75) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287410 0.81 TAS2R14 (0.72) MEN1KMT2APOLBTAS2R14CXCR3

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