SCHEMBL6924561

SCHEMBL6924561

CC=CCc1ccccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
METAP2 P50579 1/20 0.41
BCAT2 O15382 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4553805 0.85 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL7197046 0.85 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL7369716 0.85 FOLH1 (0.50) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL8930563 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL630666 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL28624746 0.81 PTGER4 (0.56) ALDH1A1KDM4EHPGDMAPTBCAT2
SCHEMBL28284541 0.80 HTT (0.44) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL83923 0.79 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL630127 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6336723 0.79 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTTSHR

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-115260135-B Synthesis method of oxindole compound 浙江工业大学 2024-02-13 CN disclosed
CN-115872920-A Synthesis method of oxindole compound 中国科学院大学 2023-03-31 CN disclosed
CN-115260135-A Synthesis method of oxindole compound 浙江工业大学 2022-11-01 CN disclosed
WO-2004104009-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK & CO., INC. (US) 2004-12-02 WO disclosed