SCHEMBL8726600

SCHEMBL8726600

CC(C)(C)OC(=O)NNc1ccc(N2C(=O)C=CC2=O)cn1.NNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
AKT1 P31749 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
LPAR1 Q92633 1/20 0.33
DDAH1 O94760 1/20 0.33
BCL2 P10415 1/20 0.32
MGLL Q99685 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7907253 0.93 GAA (0.40) GAAPOLBMEN1NPC1RAB9A
SCHEMBL8726598 0.76 ALDH1A1 (0.33) HSP90AA1NPSR1TDP1AKT1ALDH1A1
SCHEMBL25752898 0.74 RAB9A (0.50) GAAPOLBMEN1NPC1RAB9A
SCHEMBL7908261 0.73 GAA (0.45) GAAPOLBMEN1NPC1RAB9A
SCHEMBL31165993 0.73 GAA (0.45) GAAPOLBMEN1NPC1RAB9A
SCHEMBL2058148 0.72 HCAR3 (0.54) GAAPOLBMEN1NPC1RAB9A
SCHEMBL24660418 0.71 NNMT (0.55) GAAPOLBMEN1NPC1RAB9A
SCHEMBL15758463 0.71 RAB9A (0.46) GAAPOLBMEN1NPC1RAB9A
SCHEMBL27938545 0.70 GAA (0.45) GAAPOLBMEN1NPC1RAB9A
SCHEMBL13609853 0.70 MGLL (0.48) GAAHSP90AA1NPSR1TDP1DDAH1

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
US-5753520-A BIOCHEMICAL CONJUGATED WITH A HYDRAZINE OR A HYDRAZONE COMPOUND AS DRUG DELIVERY; HIGH BIOLOGICAL SPECIFICITY; MEDICINE FOR IMAGING, THERAPY, RADIOACTIVE TAGGING JOHNSON MATTHEY INC. (US) 1998-05-19 US disclosed