SCHEMBL1700302

SCHEMBL1700302

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
VCAM1 P19320 1/20 0.38
MAPT P10636 7/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
DOT1L Q8TEK3 1/20 0.34
PKM P14618 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
SCHEMBL1700229 1.00 CA2 (0.41) CA2CA12CA1CA9VCAM1
SCHEMBL1700230 1.00 CA2 (0.41) CA2CA12CA1CA9VCAM1
SCHEMBL1866518 0.94 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1866668 0.87 CA2 (0.42) CA2CA12CA1CA9VCAM1
SCHEMBL1868377 0.87 CA2 (0.42) CA2CA12CA1CA9VCAM1
SCHEMBL1866666 0.87 CA2 (0.42) CA2CA12CA1CA9VCAM1
Hydrochloric Acid SCHEMBL1700131 0.84 WNK1 (0.40) CA2CA12CA1CA9MAPT
SCHEMBL1867707 0.84 CA2 (0.41) CA2CA12CA1CA9VCAM1
SCHEMBL28073278 0.83 SLC6A2 (0.33) CA2CA12CA1CA9SLC6A2
SCHEMBL28073211 0.83 SLC6A2 (0.33) CA2CA12CA1CA9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO 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-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 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