SCHEMBL9016868

SCHEMBL9016868

O=C1NC(=O)c2c1cccc2-c1cccc(-c2cccc3c2C(=O)NC3=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
TDP2 O95551 4/20 0.47
PARP1 P09874 5/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 2/20 0.43
CASP7 P55210 2/20 0.43
CASP2 P42575 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
PTP4A3 O75365 2/20 0.42
PPOX P50336 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
BRAF P15056 1/20 0.41
PTP4A2 Q12974 1/20 0.40
PTP4A1 Q93096 1/20 0.40
CHEK1 O14757 2/20 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
SCHEMBL135332 0.88 GSK3B (0.56) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL29652041 0.87 TDP2 (0.64) GSK3BTDP2KDM4EALDH1A1GAA
SCHEMBL28709463 0.87 TDP2 (0.64) GSK3BTDP2KDM4EALDH1A1GAA
SCHEMBL10947949 0.86 PPOX (0.50) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL29032840 0.86 GSK3B (0.54) GSK3BTDP2PARP1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL28821133 0.86 GSK3B (0.54) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL16754925 0.84 GSK3B (0.62) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL5616554 0.80 GSK3B (0.52) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL16521612 0.79 TDP2 (0.43) GSK3BTDP2PARP1KDM4EALDH1A1
SCHEMBL9116090 0.79 GSK3B (0.45) GSK3BTDP2PARP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514813-A AND ALKALI METAL PHENOLATE, HIGH DILUTION, PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1996-05-07 US disclosed
EP-0634437-A1 Preparation of macrocyclic polyetherimide oligomers GENERAL ELECTRIC COMPANY (US) 1995-01-18 EP disclosed