SCHEMBL9853559

SCHEMBL9853559

N=C(N)OC(CC(=O)O)(CC(=O)NN)C(=O)O.Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
S100B P04271 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL9853500 0.80 RECQL (0.48) TP53SMN1; SMN2GAARECQLALOX15
SCHEMBL30484136 0.73 RECQL (0.67) SMN1; SMN2GAARECQLALOX15MAPT
SCHEMBL31000389 0.73 RECQL (0.67) SMN1; SMN2GAARECQLALOX15MAPT
SCHEMBL145366 0.73 RECQL (0.67) SMN1; SMN2GAARECQLALOX15MAPT
SCHEMBL9853522 0.71 RECQL (0.44) SMN1; SMN2GAARECQLALOX15MAPT
Hydrochloric Acid SCHEMBL27581315 0.71 RECQL (0.65) SMN1; SMN2GAARECQLALOX15MAPT
Hydrazine SCHEMBL11821861 0.71 RECQL (0.65) SMN1; SMN2GAARECQLALOX15MAPT
Acetamide SCHEMBL16335345 0.70 RECQL (0.59) SMN1; SMN2GAARECQLALOX15MAPT
SCHEMBL9853525 0.68 SMN1; SMN2 (0.46) SMN1; SMN2GAARECQLALOX15MAPT
SCHEMBL9853497 0.68 SMN1; SMN2 (0.46) SMN1; SMN2GAARECQLALOX15MAPT

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-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP claimed