SCHEMBL22492559

SCHEMBL22492559

[2H]C([2H])([2H])N(CC(=O)OC(C=C)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.38

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
SCHEMBL26247554 0.93 MAPT (0.51) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492511 0.83 MAPT (0.44) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492626 0.80 MAPT (0.52) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL26247537 0.79 MAPT (0.53) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492413 0.79 MAPT (0.45) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL17837048 0.77 MAPT (0.49) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492463 0.76 MAPT (0.43) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492433 0.76 CA12 (0.53) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL22492488 0.76 MAPT (0.43) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL26247578 0.75 MAPT (0.51) MAPTKMT2ALMNAMEN1NPSR1

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-3717453-A2 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Ultragenyx Pharmaceutical Inc. (US) 2020-10-07 EP disclosed
CN-111417620-A Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2020-07-14 CN disclosed