SCHEMBL1700200

SCHEMBL1700200

NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1.NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
PKM P14618 4/20 0.53
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
VCAM1 P19320 1/20 0.44
GAA P10253 3/20 0.43
DOT1L Q8TEK3 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 2/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29387647 0.93 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL523815 0.93 MAPT (0.59) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037789 0.89 KMT2A (0.56) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16038200 0.89 KMT2A (0.56) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037790 0.89 KMT2A (0.56) MAPTPKMPOLBKMT2AMEN1
SCHEMBL30075005 0.87 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1699987 0.87 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL16037476 0.87 MAPT (0.60) MAPTPKMPOLBKMT2AMEN1
SCHEMBL9978320 0.86 MAPT (0.49) MAPTPKMPOLBKMT2AMEN1
SCHEMBL1958921 0.86 MAPT (0.49) MAPTPKMPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
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-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO 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
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed