SCHEMBL27893507

SCHEMBL27893507

NS(=O)(=O)c1ccc(N(CC2CC2)C2CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.43
SLC6A4 P31645 8/20 0.43
SLC6A3 Q01959 8/20 0.43
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL28073280 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27893574 0.84 TACR1 (0.39) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL1959371 0.81 CA2 (0.45) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL28621836 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27923441 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28073211 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28624969 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28073278 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27893528 0.78 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27893509 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 CN disclosed
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 CN disclosed
CN-106008322-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-10-12 CN disclosed
CN-106008466-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES 艾伯维公司 2016-10-12 CN disclosed
CN-102307622-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2016-08-17 CN disclosed
CN-102307872-B BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-06-15 CN disclosed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 CN disclosed
CN-102947285-A Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBOTT LAB 2013-02-27 CN disclosed