SCHEMBL29031875

SCHEMBL29031875

O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
SERPINE1 P05121 3/20 0.49
TNKS2 Q9H2K2 1/20 0.44
PTGS2 P35354 6/20 0.43
PRMT5 O14744 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PIM1 P11309 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G10 O15496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FEN1 P39748 1/20 0.41
NOTUM Q6P988 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
SCHEMBL30472324 1.00 ESR1 (0.49) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29639197 0.93 SERPINE1 (0.53) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29639174 0.84 SERPINE1 (0.67) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29031883 0.84 SERPINE1 (0.67) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29639198 0.84 PTGS2 (0.54) ESR1ESR2SERPINE1PTGS2KDM4E
SCHEMBL29031845 0.84 PTGS2 (0.54) ESR1ESR2SERPINE1PTGS2KDM4E
SCHEMBL31014303 0.81 ESR1 (0.50) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29639232 0.80 TNKS (0.44) ESR1ESR2SERPINE1TNKS2KDM4E
SCHEMBL16578789 0.79 SERPINE1 (0.56) ESR1ESR2SERPINE1TNKS2PTGS2
SCHEMBL29031864 0.79 SERPINE1 (0.51) ESR1ESR2SERPINE1PTGS2KDM4E

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