SCHEMBL1287448

SCHEMBL1287448

O=C(O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 2/20 0.56
TAS2R14 Q9NYV8 6/20 0.50
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.46
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
STAT3 P40763 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1287453 0.84 CXCR3 (0.72) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287601 0.84 POLB (0.49) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287330 0.78 MEN1 (0.64) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287273 0.78 MEN1 (0.89) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287315 0.76 MEN1 (0.70) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287293 0.76 MEN1 (0.60) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL10461750 0.75 MEN1 (0.75) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL13649481 0.74 MEN1 (0.67) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287378 0.74 MEN1 (0.73) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287284 0.74 MEN1 (0.73) CXCR3MEN1KMT2APOLBTAS2R14

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