SCHEMBL1861017

SCHEMBL1861017

NS(=O)(=O)c1ccc(OCC2CCN(C3COC3CF)C2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
BRD4 O60885 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
VCAM1 P19320 1/20 0.33
CA7 P43166 2/20 0.33

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
SCHEMBL1702078 0.84 LMNA (0.42) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL1700459 0.83 LMNA (0.45) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL1700462 0.83 LMNA (0.45) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL1700651 0.80 LMNA (0.47) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL1867902 0.79 LMNA (0.43) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL30467937 0.76 LMNA (0.48) LMNAMAPTPOLBALDH1A1BRD4
SCHEMBL1700025 0.76 LMNA (0.48) LMNAMAPTPOLBALDH1A1BRD4
SCHEMBL1700380 0.76 LMNA (0.42) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL1700056 0.74 LMNA (0.51) LMNAMAPTPOLBALDH1A1ATM
SCHEMBL25416611 0.74 LMNA (0.49) LMNAMAPTPOLBALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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