SCHEMBL21995330

SCHEMBL21995330

COC(=O)[C@@H](CN)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.45
THRB P10828 1/20 0.44
SLC10A6 Q3KNW5 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL21995328 1.00 MEN1 (0.49) MEN1KMT2AF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL28624157 0.99 MEN1 (0.48) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL32668280 0.87 MEN1 (0.48) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL10328418 0.82 MEN1 (0.43) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL5692653 0.81 ALDH1A1 (0.49) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL20556326 0.80 MEN1 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL20556325 0.80 MEN1 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL21837921 0.80 HSD11B1 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL21837924 0.80 HSD11B1 (0.42) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL3100214 0.79 KMT2A (0.55) MEN1KMT2AF2PRSS1PRSS2

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
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 WO disclosed