SCHEMBL28203288

SCHEMBL28203288

NC1=NN(c2ccccc2)C(C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.38
▸ KMT2A Q03164 8/20 0.38
▸ SIGMAR1 Q99720 2/20 0.36
▸ ATM Q13315 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CFTR P13569 1/20 0.33

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
SCHEMBL25178380 0.80 MAPT (0.48) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL28774867 0.78 MEN1 (0.36) MEN1KMT2AATMMAPTHSP90AA1
SCHEMBL11068412 0.74 MEN1 (0.54) MEN1KMT2AATMMAPTHSP90AA1
SCHEMBL7721905 0.74 L3MBTL1 (0.40) MEN1KMT2ASIGMAR1ATMMAPT
SCHEMBL16139718 0.74 MEN1 (0.36) MEN1KMT2ASIGMAR1ATMMAPT
SCHEMBL7717975 0.73 ALDH1A1 (0.39) MEN1KMT2ASIGMAR1ATMMAPT
SCHEMBL7714597 0.71 DPP4 (0.37) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL7719090 0.70 PRKCZ (0.35) MEN1KMT2ASIGMAR1ATMMAPT
SCHEMBL1781467 0.70 NOS1 (0.39) MEN1KMT2ASIGMAR1ATMMAPT
SCHEMBL11060055 0.68 EGFR (0.53) MEN1KMT2AATMMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112375072-B Pyrazolone derivative, injection and application thereof 上海长征富民金山制药有限公司 2021-05-28 — — CN claimed
CN-112375072-A Pyrazolone derivative, injection and application thereof 上海长征富民金山制药有限公司 2021-02-19 — — CN claimed
CN-107796889-B Method for derivatization and separation analysis of amino pyrazolone iso-bifunctional reagent for reducing sugar chain and glycoprotein O-sugar chain 西北大学 2020-04-10 — — CN claimed
CN-107796889-A The different two functional group reagents derivatization of amino-pyrazol quinoline ketone and method for separating and analyzing of reproducibility sugar chain and glycoprotein O sugar chains 西北大学 2018-03-13 — — CN claimed
CN-112375072-B Pyrazolone derivative, injection and application thereof 上海长征富民金山制药有限公司 2021-05-28 — — CN disclosed
CN-112375072-A Pyrazolone derivative, injection and application thereof 上海长征富民金山制药有限公司 2021-02-19 — — CN disclosed
CN-107796889-B Method for derivatization and separation analysis of amino pyrazolone iso-bifunctional reagent for reducing sugar chain and glycoprotein O-sugar chain 西北大学 2020-04-10 — — CN disclosed
CN-107796889-A The different two functional group reagents derivatization of amino-pyrazol quinoline ketone and method for separating and analyzing of reproducibility sugar chain and glycoprotein O sugar chains 西北大学 2018-03-13 — — CN disclosed
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