SCHEMBL16039286

SCHEMBL16039286

N#CC1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
PKM P14618 4/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
GAA P10253 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL1700332 0.84 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16037480 0.84 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL29482091 0.84 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16039835 0.84 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1699995 0.84 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1960069 0.82 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16038538 0.82 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL16037574 0.81 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL31286231 0.81 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL29034670 0.81 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2TDP1

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