SCHEMBL28845370

SCHEMBL28845370

[CH2]N1CCOC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
PKM P14618 6/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HCAR3 P49019 1/20 0.45
LMNA P02545 4/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL29424543 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL22581386 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL22581236 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL29424541 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700350 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL29482109 0.88 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL25416070 0.86 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB
SCHEMBL1701560 0.86 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700027 0.86 KMT2A (0.58) MAPTPKMKMT2AMEN1POLB
SCHEMBL1700801 0.86 KMT2A (0.56) MAPTPKMKMT2AMEN1POLB

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-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