SCHEMBL1867902

SCHEMBL1867902

NS(=O)(=O)c1ccc(OCC2CCN(C3COCC3F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.35
VCAM1 P19320 1/20 0.35
PKM P14618 1/20 0.34
SOS1 Q07889 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
SCHEMBL1702078 0.88 LMNA (0.42) LMNAMAPTATMPOLBALDH1A1
SCHEMBL1700651 0.88 LMNA (0.47) LMNAMAPTATMPOLBALDH1A1
SCHEMBL1700459 0.84 LMNA (0.45) LMNAMAPTATMPOLBALDH1A1
SCHEMBL1700462 0.84 LMNA (0.45) LMNAMAPTATMPOLBALDH1A1
SCHEMBL1700056 0.81 LMNA (0.51) LMNAMAPTATMPOLBALDH1A1
SCHEMBL1700025 0.80 LMNA (0.48) LMNAMAPTPOLBALDH1A1BRD4
SCHEMBL30467937 0.80 LMNA (0.48) LMNAMAPTPOLBALDH1A1BRD4
SCHEMBL1861017 0.79 LMNA (0.39) LMNAMAPTATMPOLBALDH1A1
SCHEMBL25416611 0.78 LMNA (0.49) LMNAMAPTPOLBALDH1A1BRD4
SCHEMBL1869625 0.78 LMNA (0.48) LMNAMAPTATMPOLBALDH1A1

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