SCHEMBL1287301

SCHEMBL1287301

O=C(O)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
POLB P06746 1/20 1.00
TAS2R14 Q9NYV8 13/20 0.83
CXCR3 P49682 2/20 0.83
TP53 P04637 1/20 0.61
PTGES O14684 2/20 0.61
CNR2 P34972 1/20 0.61
BMP1 P13497 1/20 0.61
TBXA2R P21731 1/20 0.60
TBXAS1 P24557 1/20 0.60
TAS2R8 Q9NYW2 1/20 0.60

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
SCHEMBL1287496 0.96 MEN1 (0.93) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287273 0.94 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1168758 0.91 TAS2R14 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1279324 0.91 TAS2R14 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL13939639 0.89 TAS2R14 (0.83) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287314 0.87 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1170162 0.87 TAS2R14 (0.92) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL10461750 0.86 MEN1 (0.75) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1278914 0.85 TAS2R14 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1615931 0.85 TAS2R14 (1.00) 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