SCHEMBL1287315

SCHEMBL1287315

O=C(O)c1cccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
POLB P06746 1/20 0.70
TAS2R14 Q9NYV8 10/20 0.63
CXCR3 P49682 2/20 0.63
MEP1B Q16820 4/20 0.56
DAGLA Q9Y4D2 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
MEP1A Q16819 1/20 0.52

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
SCHEMBL1287273 0.88 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287473 0.87 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287330 0.84 MEN1 (0.64) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287453 0.84 CXCR3 (0.72) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287301 0.82 MEN1 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287378 0.82 MEN1 (0.73) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287314 0.82 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287293 0.81 MEN1 (0.60) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287431 0.81 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1615782 0.80 TAS2R14 (0.83) MEN1KMT2ATAS2R14CXCR3MEP1B

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