SCHEMBL9067712

SCHEMBL9067712

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.48
ALDH1A1 P00352 9/20 0.48
NOD2 Q9HC29 1/20 0.42
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PPID Q08752 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL9067652 0.82 GPR139 (0.57) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL9067252 0.81 GPR139 (0.59) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL9068127 0.81 NOD2 (0.43) GPR139ALDH1A1NOD2PPIDKDM4E
SCHEMBL16135529 0.76 ALDH1A1 (0.53) GPR139ALDH1A1POLBRXFP1KDM4E
SCHEMBL10949832 0.74 CYP1A2 (0.55) PPIDKMT2AMEN1
SCHEMBL10949836 0.74 CYP1A2 (0.55) PPIDKMT2AMEN1
SCHEMBL19034783 0.74 GPR139 (0.54) GPR139ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL18113085 0.73 KMT2A (0.55) GPR139ALDH1A1POLBRXFP1KMT2A
SCHEMBL11098136 0.73 GPR139 (0.54) GPR139ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL8123498 0.72 GPR139 (0.71) GPR139ALDH1A1KDM4ESMN1; SMN2KMT2A

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