SCHEMBL4563016

SCHEMBL4563016

CCCC(N)N1c2ccccc2NS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
OPRL1 P41146 8/20 0.40
OPRM1 P35372 2/20 0.36
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4484544 0.76 KDM4E (0.63) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL18061244 0.70 KDM4E (0.46) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL17858470 0.69 KDM4E (0.44) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL3691840 0.68 GAA (0.50) KDM4EOPRL1GAACA12CA9
SCHEMBL4480156 0.67 CA2 (0.43) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL22957062 0.66 OPRL1 (0.46) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL22292512 0.63 OPRL1 (0.42) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL13292328 0.63 OPRL1 (0.39) KDM4ERECQLOPRL1OPRM1GAA
SCHEMBL11807225 0.63 KDM4E (0.70) KDM4ERECQLGAACA12CA9
SCHEMBL17854058 0.63 OPRL1 (0.40) KDM4ERECQLOPRL1OPRM1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed