SCHEMBL8635730

SCHEMBL8635730

CC(C)(C)C(CCNCc1ccccc1)OC(CCNCc1ccccc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOA P21397 1/20 0.47
GAA P10253 2/20 0.46
CHRM2 P08172 1/20 0.46
MAPT P10636 1/20 0.46
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
SCN8A Q9UQD0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL21568859 0.79 MEN1 (0.55) KMT2AMEN1TDP1MAOAGAA
SCHEMBL5784665 0.74 MEN1 (0.64) KMT2AMEN1TDP1MAOAGAA
SCHEMBL5547201 0.74 MEN1 (0.57) KMT2AMEN1TDP1MAOAGAA
SCHEMBL10952739 0.73 MEN1 (0.52) KMT2AMEN1TDP1MAOAGAA
SCHEMBL19674817 0.72 MEN1 (0.55) KMT2AMEN1TDP1MAOAGAA
SCHEMBL11253767 0.72 MEN1 (0.59) KMT2AMEN1TDP1MAOAGAA
SCHEMBL2305794 0.72 MEN1 (0.59) KMT2AMEN1TDP1MAOAGAA
SCHEMBL3193069 0.71 MEN1 (0.53) KMT2AMEN1TDP1MAOAGAA
SCHEMBL18650108 0.71 DRD4 (0.54) KMT2AMEN1TDP1MAOAGAA
SCHEMBL7981785 0.71 ATM (0.43) KMT2AMEN1TDP1MAOAGAA

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
US-5854178-A Bioactive compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-12-29 US disclosed
US-5710099-A AMINO ETHERS, ENHANCING PLANT GROWTH, INSECT RESISTANCE, INCREASING TAXOL CONTENT IN YEWS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-01-20 US disclosed