SCHEMBL9067904

SCHEMBL9067904

O=C(O)CN(C(=O)CSC(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
GPR139 Q6DWJ6 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL8887585 0.85 GPR139 (0.40) KMT2AGPR139ALDH1A1MAPTHTT
SCHEMBL8887587 0.85 KMT2A (0.40) KMT2AGPR139ALDH1A1MAPTHTT
SCHEMBL3392049 0.74 KDM4E (0.34) GAAHTTKDM4ELMNA
SCHEMBL5977694 0.72 MGLL (0.42) KMT2AGPR139ALDH1A1MAPTHTT
SCHEMBL9067902 0.71 PGR (0.36) KMT2AALDH1A1MAPTGAAHTT
SCHEMBL1520392 0.69 KMT2A (0.58) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL9724362 0.69 PARP1 (0.36) KMT2AALDH1A1MAPTGAAHTT
SCHEMBL18439047 0.69 ALDH1A1 (0.42) KMT2AALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL11287633 0.67 KMT2A (0.52) KMT2AGPR139ALDH1A1MAPTHTT
SCHEMBL15341566 0.66 KMT2A (0.64) KMT2AGPR139ALDH1A1MAPTHTT

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