SCHEMBL9067654

SCHEMBL9067654

O=C(O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.47
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
ITGB3 P05106 2/20 0.36
ITGB1 P05556 2/20 0.36
ITGAV P06756 2/20 0.36
ITGA5 P08648 2/20 0.36
MDM4 O15151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MME P08473 5/20 0.36
ACE P12821 2/20 0.35
MAPK1 P28482 2/20 0.35
MDM2 Q00987 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14417102 0.83 GPR139 (0.52) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL1055212 0.83 GPR139 (0.52) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL8595095 0.83 GPR139 (0.55) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL9067652 0.80 GPR139 (0.57) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL9067650 0.78 ACE (0.40) GPR139ALDH1A1KMT2AMAPTKDM4E
SCHEMBL9067252 0.76 GPR139 (0.59) GPR139ALDH1A1KMT2AMAPTHTT
Succinimide SCHEMBL8888235 0.76 KMT2A (0.44) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL9067657 0.75 GPR139 (0.34) GPR139ALDH1A1KMT2AMAPTMME
SCHEMBL9497042 0.75 KMT2A (0.45) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL8387484 0.74 GPR139 (0.55) GPR139ALDH1A1KMT2AMAPTHTT

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