SCHEMBL28237244

SCHEMBL28237244

CC(C)(CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])OC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
PKM P14618 3/20 0.62
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 4/20 0.47
KMT2A Q03164 1/20 0.47
PRSS1 P07477 4/20 0.47
HCAR3 P49019 2/20 0.45
WNK1 Q9H4A3 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
KAT2B Q92831 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 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
SCHEMBL28228302 0.80 MAPT (0.64) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16039236 0.79 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28228303 0.78 MAPT (0.64) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1957773 0.78 SMN1; SMN2 (0.69) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28252139 0.77 MAPT (0.68) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817461 0.77 MAPT (0.68) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1958584 0.77 MAPT (0.75) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817474 0.76 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817471 0.76 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817463 0.76 MAPT (0.67) 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 3 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