SCHEMBL1867014

SCHEMBL1867014

NS(=O)(=O)c1ccc(N(C2COC2)[C@@H]2CCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
VCAM1 P19320 1/20 0.40
HTT P42858 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 7/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL1700492 1.00 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1700490 1.00 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1958232 0.94 CA2 (0.45) CA2CA12CA1CA9VCAM1
SCHEMBL1867951 0.92 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1870339 0.92 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1867950 0.92 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1864944 0.91 CA2 (0.44) CA2CA12CA1CA9VCAM1
SCHEMBL1958443 0.91 CA2 (0.47) CA2CA12CA1CA9VCAM1
SCHEMBL1958441 0.91 CA2 (0.47) CA2CA12CA1CA9VCAM1
SCHEMBL1867625 0.86 CA2 (0.41) CA2CA12CA1CA9VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed