SCHEMBL6752153

SCHEMBL6752153

CCOC(=O)c1ccc2cc(C(C(=O)OC)C(=O)OC)ccn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.46
▸ ALDH1A1 P00352 10/20 0.46
▸ HPGD P15428 7/20 0.46
▸ GAA P10253 6/20 0.46
▸ GLA P06280 5/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL10362962 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6754552 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL10362803 0.80 CA12 (0.54) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL25223019 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6755336 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6754479 0.75 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL8565982 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL4616746 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6752047 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL8136267 0.72 KDM4E (0.45) KDM4EALDH1A1HPGDGAAGLA

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-6706528-B2 DETECTING MAGNESIUM ION WITH A CARBOXY-QUINOLIZINE COMPOUND TO FORM A COMPLEX AND DETECTING FLUORESCENCE IN SAID COMPLEX; FOR DIAGNOSIS OF CARDIOVASCULAR DISEASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-03-16 — — US disclosed
US-20020031834-A1 Fluorescent magnesium indicators THE GOVERNMENT OF THE UNITED STATES 2002-03-14 — — US disclosed
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