SCHEMBL9067902

SCHEMBL9067902

O=C(O)CN(C(=O)[C@@H](S)C(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
ATM Q13315 1/20 0.35
CES2 O00748 1/20 0.34
LMNA P02545 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL9067904 0.71 KMT2A (0.48) L3MBTL1ALDH1A1RAB9AHTTKMT2A
SCHEMBL8726045 0.71 MGLL (0.43) TDP1L3MBTL1ALDH1A1RAB9AHTT
SCHEMBL18439047 0.69 ALDH1A1 (0.42) TDP1L3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL2417683 0.67 TDP1 (0.56) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3392049 0.64 KDM4E (0.34) ADRA2ATDP1HTTLMNAGAA
SCHEMBL5274104 0.64 TDP1 (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL7207824 0.64 TDP1 (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL6319092 0.63 LMNA (0.52) TDP1L3MBTL1ALDH1A1RAB9AHTT
SCHEMBL5488818 0.63 ALDH1A1 (0.40) ALDH1A1RAB9AHTTKMT2ASMN1; SMN2
SCHEMBL8377711 0.62 L3MBTL1 (0.39) PGRADRA2AADRA2BHTR2AHRH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534497-A RADIOPHARMACEUTICALS; MEDICAL DIAGNOSIS MALLINCKRODT MEDICAL, INC. (US) 1996-07-09 US disclosed
US-5187264-A Technetium chelates to be used for determining the renal function MALLINCKRODT MEDICAL, INC. (US) 1993-02-16 US disclosed
EP-0250013-B1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT, INC.(a Missouri corporation) (US) 1990-05-09 EP disclosed
US-4849511-A Technetium chelates to be used for determining the renal function MALLINCKRODT, INC. (US) 1989-07-18 US disclosed
EP-0250013-A1 Technetium chelates to be used for determining the renal function MALLINCKRODT, INC.(a Missouri corporation) (US) 1987-12-23 EP disclosed