SCHEMBL1869625

SCHEMBL1869625

NS(=O)(=O)c1ccc(OCC2CCN(C3(F)CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA2 P00918 5/20 0.40
BRD4 O60885 1/20 0.37
RORC P51449 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 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
SCHEMBL1700056 0.85 LMNA (0.51) LMNAMAPTATMALDH1A1POLB
SCHEMBL1700025 0.80 LMNA (0.48) LMNAMAPTALDH1A1POLBKDM4E
SCHEMBL30467937 0.80 LMNA (0.48) LMNAMAPTALDH1A1POLBKDM4E
SCHEMBL1700651 0.80 LMNA (0.47) LMNAMAPTATMALDH1A1POLB
SCHEMBL29855648 0.79 LMNA (0.43) LMNAMAPTALDH1A1POLBCA2
SCHEMBL1700457 0.79 LMNA (0.43) LMNAMAPTALDH1A1POLBCA2
SCHEMBL1702078 0.79 LMNA (0.42) LMNAMAPTATMALDH1A1POLB
SCHEMBL25416611 0.78 LMNA (0.49) LMNAMAPTALDH1A1POLBKDM4E
SCHEMBL523821 0.78 LMNA (0.48) LMNAMAPTATMALDH1A1POLB
SCHEMBL29482089 0.78 LMNA (0.48) LMNAMAPTATMALDH1A1POLB

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 7 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
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-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