SCHEMBL28624969

SCHEMBL28624969

N#CCN(c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 8/20 0.33
SLC6A3 Q01959 4/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KCNH2 Q12809 3/20 0.30

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
SCHEMBL27923441 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28621836 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28073278 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28073211 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL1867707 0.83 CA2 (0.41) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27893509 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CA2KCNH2
SCHEMBL27893507 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27935392 0.78 CA12 (0.33) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL28073280 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL27893574 0.77 TACR1 (0.39) SLC6A2SLC6A4SLC6A3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 CN disclosed
CN-103167867-A Solid dispersions containing an apoptosis-inducing agent ABBOTT LAB 2013-06-19 CN disclosed
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 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