SCHEMBL7197137

SCHEMBL7197137

Cc1cn(C(=O)NC(CCCNC(=O)OC(C)(C)C)C(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
ASAH1 Q13510 2/20 0.39
ACE P12821 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK3 P27361 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SQOR Q9Y6N5 1/20 0.37

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
SCHEMBL7196623 0.90 TDP1 (0.42) MEN1KMT2AGAATDP1NPSR1
SCHEMBL7963556 0.75 CAMK2D (0.46) MEN1KMT2AGAATDP1MAPT
SCHEMBL12238298 0.74 MEN1 (0.71) MEN1KMT2AGAATDP1ALDH1A1
SCHEMBL4888105 0.74 MEN1 (0.71) MEN1KMT2AGAATDP1ALDH1A1
SCHEMBL903957 0.74 MEN1 (0.71) MEN1KMT2AGAATDP1ALDH1A1
SCHEMBL7535820 0.74 MAOA (0.39) TDP1NPSR1
SCHEMBL11244003 0.73 LMNA (0.65) ASAH1LMNACYP3A4CYP2D6MAPK3
SCHEMBL24580520 0.72 MEN1 (0.63) MEN1KMT2AGAATDP1NPSR1
SCHEMBL19851906 0.72 MEN1 (0.68) MEN1KMT2AGAATDP1NPSR1
SCHEMBL11247507 0.72 ASAH1 (0.71) ASAH1LMNACYP3A4CYP2D6MAPK3

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
EP-1310507-A2 Novel peptide nucleic acids NIELSEN, Peter Eigil (DK) 2003-05-14 EP disclosed
US-5773571-A BOND TO RNA AND DNA STRANDS NIELSEN PETER E (DK) 1998-06-30 US disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
EP-0699208-A1 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN, Peter Eigil (DK) 1996-03-06 EP disclosed
WO-1994025477-A2 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN PETER E (DK) 1994-11-10 WO disclosed