SCHEMBL29031872

SCHEMBL29031872

COC(=O)c1ccc2c(=O)[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KIF11 P52732 1/20 0.49
TNKS O95271 1/20 0.48
CSNK2A1 P68400 1/20 0.47
MAPK8 P45983 2/20 0.47
MALT1 Q9UDY8 1/20 0.46
SERPINE1 P05121 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PADI4 Q9UM07 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL30472344 1.00 PARP1 (0.59) PARP1MEN1KMT2AKIF11TNKS
SCHEMBL2285692 0.84 MEN1 (0.71) PARP1MEN1KMT2AKIF11ALDH1A1
SCHEMBL29639192 0.79 SERPINE1 (0.56) SERPINE1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29639258 0.76 PTGS2 (0.54) MEN1KMT2ASERPINE1ALDH1A1SMN1; SMN2
SCHEMBL29639197 0.76 SERPINE1 (0.53) SERPINE1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13423978 0.76 MEN1 (0.59) PARP1MEN1KMT2AKIF11ALDH1A1
SCHEMBL29031853 0.75 PDE3B (0.48) MEN1KMT2ATNKSSERPINE1ALDH1A1
SCHEMBL29031864 0.75 SERPINE1 (0.51) PARP1SERPINE1ALDH1A1KDM4EHPGD
SCHEMBL2290102 0.75 MEN1 (0.58) MEN1KMT2AKIF11MAPK1SMN1; SMN2
SCHEMBL25293367 0.74 PARP1 (1.00) PARP1MEN1KMT2AKIF11TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396206-A Isoindolinone compound and preparation method and application thereof 五邑大学 2023-07-07 CN disclosed