SCHEMBL28416384

SCHEMBL28416384

O=C(O)C(O)CNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL28084227 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL7402520 0.75 CA12 (0.53) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL12834642 0.75 CYP1A2 (0.46) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL22649171 0.75 CYP1A2 (0.46) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8898810 0.74 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL8897056 0.74 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11656910 0.74 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL30660067 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8011548 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL1286243 0.71 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ANPSR1CA12

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-111138506-B Preparation method of isepamicin sulfate 浙江弘盛药业有限公司 2021-05-25 — — CN claimed
CN-111138506-A Preparation method of isepamicin sulfate 浙江弘盛药业有限公司 2020-05-12 — — CN claimed
CN-111138506-B Preparation method of isepamicin sulfate 浙江弘盛药业有限公司 2021-05-25 — — CN disclosed
CN-111138506-A Preparation method of isepamicin sulfate 浙江弘盛药业有限公司 2020-05-12 — — CN disclosed
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