SCHEMBL9538880

SCHEMBL9538880

CNC(=O)CC(CC(=O)NC)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.81
MAPT P10636 1/20 0.60
SLC6A3 Q01959 1/20 0.56
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 2/20 0.49
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
FNTA P49354 5/20 0.48
FNTB P49356 5/20 0.48
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL8333167 0.94 ATM (0.73) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL8189804 0.91 ATM (0.69) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL8194695 0.91 ATM (0.69) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL8178115 0.91 ATM (0.69) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL362441 0.86 LMNA (0.62) ATMSLC6A3POLBLMNAHTT
SCHEMBL8180750 0.84 ATM (0.60) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL8188757 0.84 ATM (0.60) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL8193982 0.84 ATM (0.60) ATMMAPTSLC6A3KDM4ERECQL
SCHEMBL6336570 0.82 ATM (0.58) ATMSLC6A3KDM4ELMNASMN1; SMN2
SCHEMBL2049574 0.82 HPGD (0.59) ATMSLC6A3POLBLMNAHTT

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
WO-1993003045-A1 PROCESS FOR PURER ORGANIC METAL ION CHELATE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-18 WO disclosed