SCHEMBL28845496

SCHEMBL28845496

C[C](C)CN1CCOC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 12/20 0.52
PKM P14618 5/20 0.52
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 5/20 0.44
HCAR3 P49019 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD4 P21917 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL28199068 1.00 KMT2A (0.53) KMT2AMEN1MAPTPKMPOLB
SCHEMBL28152133 1.00 KMT2A (0.53) KMT2AMEN1MAPTPKMPOLB
SCHEMBL27893518 0.91 MAPT (0.52) KMT2AMEN1MAPTPKMPOLB
SCHEMBL25416070 0.90 KMT2A (0.56) KMT2AMEN1MAPTPKMPOLB
SCHEMBL1700636 0.87 KMT2A (0.52) KMT2AMEN1MAPTPKMPOLB
SCHEMBL1700629 0.87 KMT2A (0.48) KMT2AMEN1MAPTPKMPOLB
SCHEMBL1700354 0.87 MAPT (0.54) KMT2AMEN1MAPTPKMPOLB
SCHEMBL29855705 0.86 KMT2A (0.54) KMT2AMEN1MAPTPKMPOLB
SCHEMBL1699992 0.86 KMT2A (0.54) KMT2AMEN1MAPTPKMPOLB
SCHEMBL22581236 0.85 KMT2A (0.58) KMT2AMEN1MAPTPKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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