SCHEMBL8524149

SCHEMBL8524149

N#CC(C#N)=C1NC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
CASP3 P42574 2/20 0.45
CASP7 P55210 2/20 0.45
CASP6 P55212 2/20 0.45
CASP8 Q14790 2/20 0.45
CASP2 P42575 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.42
PDGFRA P16234 1/20 0.39
FER P16591 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HPGD P15428 3/20 0.39
EGFR P00533 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13998665 0.81 GSK3B (0.48) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL8525618 0.78 EGFR (0.38) CASP7GAAMAPTALDH1A1HTT
SCHEMBL3144271 0.77 GAA (0.45) GAAMAPTALDH1A1HTTHPGD
SCHEMBL11251701 0.76 GSK3B (0.42) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL11251693 0.76 GSK3B (0.42) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL27047100 0.75 GSK3B (0.61) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL17951849 0.74 GAA (0.43) GAAMAPTALDH1A1HTTHPGD
SCHEMBL24990048 0.74 IDO1 (0.46) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL8983753 0.73 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL27572997 0.73 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962658-A (3-oxoisoindolin-1-ylidine)propandinitrile derivatives and method for preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-10-05 US claimed
US-5962658-A (3-oxoisoindolin-1-ylidine)propandinitrile derivatives and method for preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-10-05 US disclosed
US-5962658-A (3-oxoisoindolin-1-ylidine)propandinitrile derivatives and method for preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-10-05 US disclosed
US-5962658-A (3-oxoisoindolin-1-ylidine)propandinitrile derivatives and method for preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-10-05 US disclosed
CN-1215049-A (3-oxioisoindolin-1-ylidine) propandinitrile derivatives and method for preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 1999-04-28 CN disclosed