SCHEMBL5332282

SCHEMBL5332282

O=C1Nc2c(O)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.60
DAO P14920 2/20 0.60
NSD2 O96028 1/20 0.60
BCHE P06276 1/20 0.60
LIG1 P18858 1/20 0.59
MAOA P21397 4/20 0.48
CASP7 P55210 2/20 0.48
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
MAPT P10636 5/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL31244367 1.00 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL3088689 0.75 DAO (1.00) CES1DAONSD2BCHELIG1
SCHEMBL29417367 0.75 CES1 (1.00) CES1DAONSD2BCHELIG1
SCHEMBL29836255 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL505703 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL1247382 0.75 CES1 (1.00) CES1DAONSD2BCHELIG1
SCHEMBL29440762 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL281604 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL6845708 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL29506270 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1

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
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 WO disclosed