SCHEMBL16039403

SCHEMBL16039403

NS(=O)(=O)c1ccc(NCC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
PKM P14618 4/20 0.53
POLB P06746 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 5/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DOT1L Q8TEK3 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
VCAM1 P19320 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 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
SCHEMBL16039835 0.86 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037626 0.85 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL31286232 0.85 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2481803 0.84 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16039288 0.83 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28526212 0.82 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28525704 0.80 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700499 0.80 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29482091 0.80 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1699995 0.80 MAPT (0.53) MAPTPKMPOLBSMN1; SMN2GAA

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