SCHEMBL28818211

SCHEMBL28818211

O=C1NC(=Cc2cccc(Br)c2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
MAPK1 P28482 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ALPI P09923 1/20 0.57
CISD1 Q9NZ45 3/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
PIM1 P11309 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
HSD11B1 P28845 1/20 0.49
PNP P00491 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
BLM P54132 2/20 0.48
HPGD P15428 2/20 0.48
APAF1 O14727 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL29727412 1.00 LMNA (0.70) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL19748980 0.83 LMNA (1.00) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL19748978 0.83 LMNA (1.00) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL31667454 0.83 LMNA (1.00) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL19387247 0.83 LMNA (1.00) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL29727411 0.83 LMNA (1.00) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL22625264 0.80 MAPT (0.69) LMNAMAPK1SMN1; SMN2HSD17B10ALPI
SCHEMBL6670159 0.79 MEN1 (0.67) LMNAMAPK1SMN1; SMN2ALPICISD1
SCHEMBL6670153 0.79 MEN1 (0.67) LMNAMAPK1SMN1; SMN2ALPICISD1
SCHEMBL249297 0.77 PLK4 (0.70) LMNAMAPK1SMN1; SMN2PIM1MEN1

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-109912492-B Synthetic method of 3-benzylidene isoindoline-1-one derivative 大连理工大学 2022-06-14 CN disclosed