SCHEMBL8011548

SCHEMBL8011548

O=C(O)CCNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ POLB P06746 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL30660067 1.00 MEN1 (0.50) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL3441080 0.87 CDC25A (0.51) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL7402520 0.81 CA12 (0.53) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL11408828 0.79 NTRK1 (0.52) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL6150350 0.79 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL29066255 0.79 KMT2A (0.51) MEN1KMT2AL3MBTL1KDM4EPOLB
SCHEMBL8873486 0.77 CYP1A2 (0.48) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4813089 0.76 MAPT (0.45) MEN1KMT2AL3MBTL1CA12CA9
SCHEMBL8482005 0.76 HDAC8 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL31526985 0.76 CYP1A2 (0.47) MEN1KMT2AL3MBTL1CA12CA9

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
US-6056939-A Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals BRACCO IMAGING S.P.A. (IT) 2000-05-02 — — US disclosed
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