SCHEMBL5329295

SCHEMBL5329295

CCOc1cccc2c1NC(=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.54
CES1 P23141 3/20 0.50
NSD2 O96028 1/20 0.50
BCHE P06276 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LIG1 P18858 1/20 0.46
PTPRC P08575 1/20 0.44
GRK6 P43250 1/20 0.43
TTR P02766 1/20 0.41
CASP3 P42574 2/20 0.41
MAPT P10636 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
IGF1R P08069 1/20 0.40
CASP2 P42575 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GUSB P08236 1/20 0.40

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
SCHEMBL29506314 0.81 L3MBTL1 (0.65) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL5323040 0.81 L3MBTL1 (0.65) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL29091640 0.78 CES1 (0.41) DAOCES1NSD2BCHEL3MBTL1
Water SCHEMBL8678456 0.77 DDB1 (0.45) DAOPTPRCGRK6TTRCASP3
SCHEMBL31016514 0.77 CES1 (0.54) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL31244383 0.75 DAO (0.53) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL31244371 0.75 DAO (0.53) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL951019 0.75 DAO (0.61) DAOCES1NSD2BCHEL3MBTL1
SCHEMBL7399139 0.75 DDB1 (0.46) DAOPTPRCGRK6TTRCASP3
SCHEMBL3063162 0.73 CES1 (0.58) DAOCES1NSD2BCHEL3MBTL1

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