SCHEMBL28019794

SCHEMBL28019794

NS(=O)(=O)c1ccc(C[C@H]2CNCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
VCAM1 P19320 1/20 0.42
MAPT P10636 6/20 0.39
PKM P14618 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 2/20 0.37
CA5A P35218 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL28019147 1.00 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL28019154 1.00 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL1700530 0.81 MAPT (0.58) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL1700127 0.81 MAPT (0.58) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL1700052 0.81 MAPT (0.58) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL1700347 0.81 HTR2A (0.46) CA2CA12CA1CA9VCAM1
SCHEMBL31525113 0.81 MAPT (0.58) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL28019169 0.79 CA2 (0.45) CA2CA12CA1CA9VCAM1
SCHEMBL23064497 0.78 KCNH2 (0.36) CA2CA12CA1CA9
SCHEMBL27910634 0.75 MAPT (0.47) CA2CA12CA1CA9VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 CN disclosed
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
CN-104876927-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2017-06-23 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 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-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102947285-B Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBVIE (US) 2015-08-26 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed