SCHEMBL4592709

SCHEMBL4592709

CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCN)C1.CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCN)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
BRD4 O60885 3/20 0.42
EPHX1 P07099 1/20 0.38
STS P08842 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NAMPT P43490 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LYPLA1 O75608 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL220577 1.00 NR1H2 (0.43) NR1H2BRD4EPHX1STSDDB1
SCHEMBL29099146 0.81 NR1H2 (0.42) NR1H2BRD4EPHX1STSDDB1
SCHEMBL15084775 0.81 NR1H2 (0.45) NR1H2BRD4EPHX1STSNAMPT
Lithium Ion SCHEMBL21063823 0.80 NR1H2 (0.43) NR1H2BRD4EPHX1STSNAMPT
SCHEMBL15174329 0.79 NR1H2 (0.46) NR1H2BRD4EPHX1STSNAMPT
SCHEMBL29161097 0.79 NR1H2 (0.46) NR1H2BRD4EPHX1STSNAMPT
SCHEMBL18834717 0.77 NR1H2 (0.48) NR1H2EPHX1DDB1CRBNNAMPT
SCHEMBL221548 0.75 BRD4 (0.57) NR1H2BRD4STSNAMPTLYPLA1
SCHEMBL30954929 0.75 BRD4 (0.51) BRD4EPHX1STSCA12CA1
SCHEMBL29107918 0.75 BRD4 (0.51) BRD4EPHX1STSCA12CA1

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-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed