SCHEMBL11157751

SCHEMBL11157751

COc1cc(C=NNC(=O)c2ccccc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 1.00
KDM4E B2RXH2 4/20 1.00
POLB P06746 7/20 0.81
KMT2A Q03164 7/20 0.81
MEN1 O00255 6/20 0.81
NR1I2 O75469 1/20 0.81
AHR P35869 1/20 0.81
MPO P05164 1/20 0.78
NT5E P21589 1/20 0.78
GCGR P47871 2/20 0.74
MAPT P10636 7/20 0.73
ALDH1A1 P00352 4/20 0.73
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA9 Q16790 1/20 0.73
PKM P14618 2/20 0.67
RAB9A P51151 1/20 0.67
GFER P55789 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.67

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
SCHEMBL12937858 0.93 GCGR (0.87) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL28515502 0.90 GAA (0.81) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL28515978 0.90 GAA (0.81) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL28510648 0.89 GAA (0.80) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL18642552 0.89 GAA (0.80) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL18642551 0.89 GAA (0.80) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL2542993 0.89 GAA (0.80) GAAKDM4EPOLBKMT2AMEN1
Ftivazide SCHEMBL436184 0.88 GAA (1.00) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL28521274 0.87 GAA (0.77) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL28520360 0.87 GAA (0.77) GAAKDM4EPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705167-B Preparation and application of two nickel acylhydrazone Schiff base complexes 南京林业大学 2021-06-11 CN claimed
CN-109705167-B Preparation and application of two nickel acylhydrazone Schiff base complexes 南京林业大学 2021-06-11 CN disclosed
CN-109705167-B Preparation and application of two nickel acylhydrazone Schiff base complexes 南京林业大学 2021-06-11 CN disclosed
US-4378239-A FOR THIOLCARBAMATE HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1983-03-29 US disclosed