SCHEMBL28336709

SCHEMBL28336709

CN(OC(=O)c1ccccc1C(=O)ON(C)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MYC P01106 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL22570410 0.81 NPSR1 (0.44) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL28001086 0.79 ALDH1A1 (0.45) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL27903557 0.79 TSHR (0.50) POLBKMT2ATSHRALDH1A1CYP3A4
SCHEMBL20850055 0.78 PDCD1 (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL28542823 0.78 NPSR1 (0.41) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL11454677 0.78 ALDH1A1 (0.44) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL28750160 0.78 ALDH1A1 (0.44) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL7918978 0.76 ALDH1A1 (0.41) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL28421146 0.76 SMN1; SMN2 (0.47) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL27460841 0.76 ALDH1A1 (0.56) POLBTSHRALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551057-B Chiral 3,3-disubstituted oxindole derivative and synthesis method and application thereof 华东师范大学 2023-02-07 CN disclosed
CN-110551057-A Chiral 3, 3-disubstituted oxindole derivative and synthesis method and application thereof UNIV EAST CHINA NORMAL 2019-12-10 CN disclosed