SCHEMBL22492517

SCHEMBL22492517

[2H]C([2H])([2H])N(C(=N)N)N(CC(=O)OC1(CCC=C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.33
CCR5 P51681 7/20 0.32
ALDH1A1 P00352 3/20 0.32
MCOLN3 Q8TDD5 2/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL28434751 0.85 MAPT (0.40) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL26248008 0.84 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL26247966 0.82 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492486 0.79 MAPT (0.37) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL28441986 0.79 POLB (0.31) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492502 0.78 MAPT (0.40) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492599 0.77 MAPT (0.36) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492713 0.77 MAPT (0.46) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492522 0.76 MAPT (0.38) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL22492547 0.76 MAPT (0.45) MAPTLMNAMEN1KMT2ANPSR1

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
EP-3717453-A2 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Ultragenyx Pharmaceutical Inc. (US) 2020-10-07 EP disclosed