SCHEMBL28019169

SCHEMBL28019169

NS(=O)(=O)c1ccc(CC2CCCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
VCAM1 P19320 1/20 0.44
MAPT P10636 7/20 0.43
ALDH1A1 P00352 1/20 0.43
EED O75530 3/20 0.41
SOS1 Q07889 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1700546 0.82 MAPT (0.52) CA2CA12CA1CA9MAPT
SCHEMBL28153317 0.81 IKBKB (0.41) CA2CA12CA1CA9EED
SCHEMBL28030419 0.80 CA2 (0.46) CA2CA12CA1CA9VCAM1
SCHEMBL28019147 0.79 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL28019154 0.79 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL28019794 0.79 CA2 (0.43) CA2CA12CA1CA9VCAM1
SCHEMBL28118563 0.78 MAPT (0.50) CA2CA12CA1CA9VCAM1
SCHEMBL29017803 0.74 MAPT (0.53) CA2CA12CA1CA9VCAM1
SCHEMBL30451856 0.74 MAPT (0.53) CA2CA12CA1CA9VCAM1
SCHEMBL1700544 0.74 HTT (0.42) 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 7 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-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-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-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed