Isatin

Isatin

SCHEMBL3360463

CC(C)[C@H](N)C(=O)O.O=C1Nc2ccccc2C1=O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.59
MAOB P27338 5/20 0.59
SLC7A5 Q01650 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
IDO1 P14902 2/20 0.43
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
TGM2 P21980 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDGFRA P16234 1/20 0.42
FER P16591 1/20 0.42
LTK P29376 1/20 0.42
CDK8 P49336 1/20 0.42

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
Isatin SCHEMBL9492880 0.89 MAOA (0.65) MAOAMAOBMAPTALDH1A1NPSR1
Phthalimide SCHEMBL2319609 0.83 GSK3B (0.52) MAOAMAOBSLC7A5MAPTALDH1A1
Anthraquinone SCHEMBL27983859 0.82 SLC7A5 (0.60) SLC7A5MAPTALDH1A1LMNAMEN1
Anthraquinone SCHEMBL3654040 0.82 SLC7A5 (0.60) SLC7A5MAPTALDH1A1LMNAMEN1
Isatin SCHEMBL10800199 0.81 MAOA (0.77) MAOAMAOBMAPTALDH1A1NPSR1
Isatin SCHEMBL13725994 0.81 MAOA (0.83) MAOAMAOBMAPTALDH1A1NPSR1
Isatin SCHEMBL27918798 0.79 MAOA (0.80) MAOAMAOBMAPTALDH1A1NPSR1
Isatin SCHEMBL27785434 0.79 MAOA (0.87) MAOAMAOBMAPTALDH1A1NPSR1
Isatin SCHEMBL27858156 0.79 MAOA (0.87) MAOAMAOBMAPTALDH1A1NPSR1
Isatin SCHEMBL28365971 0.79 MAOA (0.95) MAOAMAOBMAPTALDH1A1NPSR1

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-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO disclosed