SCHEMBL1700199

SCHEMBL1700199

CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCOCC1.NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
VCAM1 P19320 2/20 0.45
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 3/20 0.40
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL523814 0.93 HTT (0.52) HTTLMNANPC1RAB9AVCAM1
SCHEMBL16037787 0.89 HTT (0.53) HTTLMNANPC1RAB9AVCAM1
SCHEMBL1699986 0.86 HTT (0.45) HTTLMNANPC1RAB9AVCAM1
SCHEMBL16037474 0.86 HTT (0.45) HTTLMNANPC1RAB9AVCAM1
SCHEMBL1958922 0.86 VCAM1 (0.42) HTTLMNANPC1RAB9AVCAM1
SCHEMBL16817146 0.86 VCAM1 (0.42) HTTLMNANPC1RAB9AVCAM1
SCHEMBL1700045 0.84 CA2 (0.42) HTTLMNANPC1RAB9ACA2
SCHEMBL27671287 0.83 ALDH1A1 (0.53) HTTLMNANPC1RAB9AVCAM1
SCHEMBL1957936 0.82 HTT (0.52) HTTLMNANPC1RAB9AVCAM1
SCHEMBL1700500 0.82 CA2 (0.45) HTTLMNANPC1RAB9AVCAM1

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-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 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-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