SCHEMBL16037474

SCHEMBL16037474

CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
VCAM1 P19320 1/20 0.44
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
PKM P14618 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 1/20 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
SCHEMBL1699986 1.00 HTT (0.45) HTTLMNANPC1RAB9ACA12
SCHEMBL1699965 0.94 HTT (0.48) HTTLMNANPC1RAB9ACA12
SCHEMBL1700194 0.94 HTT (0.48) HTTLMNANPC1RAB9ACA12
SCHEMBL28618385 0.94 HTT (0.48) HTTLMNANPC1RAB9ACA12
SCHEMBL523814 0.93 HTT (0.52) HTTLMNANPC1RAB9ACA12
SCHEMBL16037787 0.88 HTT (0.53) HTTLMNANPC1RAB9ACA12
SCHEMBL1700199 0.86 HTT (0.47) HTTLMNANPC1RAB9ACA12
SCHEMBL16037370 0.85 CA2 (0.44) HTTLMNANPC1RAB9ACA12
SCHEMBL1699977 0.85 CA2 (0.44) HTTLMNANPC1RAB9ACA12
SCHEMBL16037934 0.85 CA2 (0.44) HTTLMNANPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403467-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-12-30 US disclosed
CN-107987075-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2020-12-01 CN disclosed
US-20200331907-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2020-10-22 US disclosed
EP-3415514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-12-19 EP disclosed
US-20180354952-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2018-12-13 US disclosed
US-10081628-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2018-09-25 US disclosed
EP-2970257-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-05-30 EP disclosed
US-20170008891-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2017-01-12 US disclosed
EP-2970257-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-01-20 EP disclosed
US-20150299197-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2015-10-22 US disclosed
WO-2014158528-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275082-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2014-09-18 US disclosed